JCSG Target History

		Search JCSG

Target ID:

359096

Target Name:

2636623

Protein Accession:

2636623

Local Accession:

CL5846B

cDNA Accession:

REF|NC_000964.2|:4185632-4186198

PSCA

PDB:2gd9

Hover over nodes to see experimental data. Click on nodes to go to that point in the data below.

Proposed Target

Active Target

PCR Testing

Amplifer Generation

Orientation

Plasmid Purification

Expression

Protein Purification

Crystallization

Crystal Hit

SDC Receiving

Screening

Data Collection

Integration

Scaling

Truncating

Phasing

Density Modification

Tracing

Refining

Validation

PDB Deposition

Proposed Target

Active Target

PCR Testing

Amplifer Generation

Orientation

Plasmid Purification

Expression

Protein Purification

Crystallization

Crystal Hit

SDC Receiving

Screening

Data Collection

Integration

Scaling

Truncating

Phasing

Density Modification

Tracing

Refining

Validation

PDB Deposition

Status View


Chrono View

Name:	Putative dihydrofolate reductase (from dihydrofolate reductase-like superfamily and fold)	Start Position:	1	End Position:	188
GNF Target Alias:	HK100:SpeedET-2636623-bsu-188-1-188	Sequence Type:	COMPLETE	Residues:	188
DNA Length:	564	Molecular Weight:	21735.92	Isoelectric Point:	5.94
Epsilon 280:	34950	Gravy Index:	-0.30	Species:	B. subtilis
Activated:	0	Alanine Absolute:	3	Alanine Relative:	0.0160
Arginine Absolute:	7	Arginine Relative:	0.0372	Asparagine Absolute:	15
Asparagine Relative:	0.0798	Aspartic Acid Absolute:	15	Aspartic Acid Relative:	0.0798
Cysteine Absolute:	1	Cysteine Relative:	0.0053	Glutamic Acid Absolute:	10
Glutamic Acid Relative:	0.0532	Glutamine Absolute:	7	Glutamine Relative:	0.0372
Glycine Absolute:	14	Glycine Relative:	0.0745	Histidine Absolute:	3
Histidine Relative:	0.0160	Isoleucine Absolute:	18	Isoleucine Relative:	0.0957
Leucine Absolute:	19	Leucine Relative:	0.1011	Lysine Absolute:	16
Lysine Relative:	0.0851	Methionine Absolute:	4	Methionine Relative:	0.0213
Phenylalanine Absolute:	10	Phenylalanine Relative:	0.0532	Proline Absolute:	6
Proline Relative:	0.0319	Serine Absolute:	7	Serine Relative:	0.0372
Threonine Absolute:	10	Threonine Relative:	0.0532	Tryptophan Absolute:	5
Tryptophan Relative:	0.0266	Tyrosine Absolute:	5	Tyrosine Relative:	0.0266
Valine Absolute:	13	Valine Relative:	0.0691	Selection Date:	2005-05-20

STAGE: Proposed Target

Plate: 0 Cell: 359096 Date: 2005-05-20 Status: Success

STAGE: Active Target

Plate: 32865 Cell: A11 Date: 2005-08-29 Status: Success Previous Location: Plate: 0 Cell: 359096

Sample Name: HK100:SpeedET-2636623-bsu-188-1-188 Date: 2006-09-03
GNF Project Name: JCSG2_Project1_CML1_060605 Date: 2006-09-03
GNF Program Name: JCSG Date: 2006-09-03

STAGE: PCR Testing

Plate: 32865 Cell: A11 Date: 2005-08-29 Status: Success Previous Location: Plate: 32865 Cell: A11

STAGE: Amplifer Generation

Plate: 32865 Cell: A11 Date: 2005-08-29 Status: Success Previous Location: Plate: 32865 Cell: A11

STAGE: Orientation

Plate: 32865 Cell: A11 Date: 2005-08-29 Status: Success Previous Location: Plate: 32865 Cell: A11

STAGE: Plasmid Purification

Plate: 32865 (C-0302) Cell: A11 Date: 2005-08-29 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Clone ID: 19885 Date: 2005-08-31
Strain/Vector: HK100 Date: 2006-09-03
Clone Site: SpeedET Date: 2006-09-03
Cloned Date: 2005-08-29 Date: 2006-09-03

STAGE: Expression

Plate: 32876 (E-0550) Cell: A11 Date: 2005-08-30 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-08-30 Date: 2007-11-25
GNFuge Date: 2005-08-31 Date: 2007-11-25
Protein ID: 49320 Date: 2005-09-01
Media: Native-TB Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F01 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49850 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F02 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49851 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F03 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49852 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F04 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49853 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F05 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49854 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F06 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49855 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F07 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49856 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F08 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49857 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F09 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49858 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F10 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49859 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F11 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49860 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 32957 (E-0555) Cell: F12 Date: 2005-09-06 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-09-07 Date: 2006-07-16
Protein ID: 49861 Date: 2005-09-06
Media: Met-Inhibition Date: 2006-07-16

Plate: 33674 (E-0577) Cell: C11 Date: 2005-10-18 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2005-10-18 Date: 2007-11-25
GNFuge Date: 2005-11-02 Date: 2007-11-25
Protein ID: 51853 Date: 2005-10-22
Media: Native-TB Date: 2006-07-16

Plate: 35856 (E-0698) Cell: E04 Date: 2006-02-23 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2006-02-23 Date: 2006-11-19
GNFuge Date: 2006-03-07 Date: 2006-11-19
Protein ID: 63099 Date: 2006-03-03
Media: Native-TB Date: 2006-07-16

Plate: 44312 (E-1031) Cell: C11 Date: 2007-02-09 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2007-02-09 Date: 2007-11-25
Protein ID: 91933 Date: 2007-02-09
Media: Small-scale (Mod. TB) Date: 2007-03-10

Plate: 50535 (E-1179) Cell: A12 Date: 2007-07-18 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2007-07-18 Date: 2007-11-25
Protein ID: 105688 Date: 2007-07-24
Media: Small-scale (Mod. TB) Date: 2007-08-19

Plate: 52052 (E-1218) Cell: B09 Date: 2007-08-23 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2007-08-23 Date: 2008-10-19
Protein ID: 109416 Date: 2007-08-29
Media: Native-TB Date: 2007-09-26

Plate: 64587 (E-1513) Cell: H10 Date: 2008-07-08 Status: Success Previous Location: Plate: 32865 (C-0302) Cell: A11

Fermentation Date: 2008-07-08 Date: 2008-08-03
Protein ID: 142075 Date: 2008-07-10
Media: Small-scale (Mod. TB) Date: 2008-08-03

STAGE: Protein Purification

Plate: 32876 (E-0550) Cell: A11 Date: 2005-09-01 Status: Success Previous Location: Plate: 32876 (E-0550) Cell: A11
Plate: 32957 (E-0555) Cell: F01 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F01
Plate: 32957 (E-0555) Cell: F02 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F02
Plate: 32957 (E-0555) Cell: F03 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F03
Plate: 32957 (E-0555) Cell: F04 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F04
Plate: 32957 (E-0555) Cell: F05 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F05
Plate: 32957 (E-0555) Cell: F06 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F06
Plate: 32957 (E-0555) Cell: F07 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F07
Plate: 32957 (E-0555) Cell: F08 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F08
Plate: 32957 (E-0555) Cell: F09 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F09
Plate: 32957 (E-0555) Cell: F10 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F10
Plate: 32957 (E-0555) Cell: F11 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F11
Plate: 32957 (E-0555) Cell: F12 Date: 2005-09-06 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F12
Plate: 33674 (E-0577) Cell: C11 Date: 2005-10-22 Status: Success Previous Location: Plate: 33674 (E-0577) Cell: C11
Plate: 35856 (E-0698) Cell: E04 Date: 2006-03-03 Status: Success Previous Location: Plate: 35856 (E-0698) Cell: E04
Plate: 44312 (E-1031) Cell: C11 Date: 2007-02-09 Status: Success Previous Location: Plate: 44312 (E-1031) Cell: C11
Plate: 50535 (E-1179) Cell: A12 Date: 2007-07-24 Status: Success Previous Location: Plate: 50535 (E-1179) Cell: A12
Plate: 52052 (E-1218) Cell: B09 Date: 2007-08-29 Status: Success Previous Location: Plate: 52052 (E-1218) Cell: B09
Plate: 64587 (E-1513) Cell: H10 Date: 2008-07-10 Status: Success Previous Location: Plate: 64587 (E-1513) Cell: H10

STAGE: Crystallization

Plate: 33154 (G0013535) Cell: XT Date: 2005-09-15 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F01

Screen Type: Sparse Matrix Date: 2007-07-15
Setup Date: 2005-09-15 Date: 2007-07-15
Setup Temp: 4 Date: 2007-07-15
Crystal Conditions: GNF1 Date: 2007-07-15
Drop Volume (nl): 200.0 Date: 2007-07-15
Precipitate Volume (nl): 200 Date: 2007-07-15
Reservoir Volume (ul): 50.0 Date: 2007-07-15

Plate: 33155 (G0013634) Cell: XT Date: 2005-09-15 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F01

Screen Type: Sparse Matrix Date: 2006-07-16
Setup Date: 2005-09-15 Date: 2006-07-16
Setup Temp: 4 Date: 2006-07-16
Crystal Conditions: GNF2 Date: 2006-07-16
Drop Volume (nl): 200.0 Date: 2006-07-16
Precipitate Volume (nl): 200 Date: 2006-07-16
Reservoir Volume (ul): 50.0 Date: 2006-07-16

Plate: 33156 (G0013459) Cell: XT Date: 2005-09-15 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F01

Screen Type: Sparse Matrix Date: 2006-07-16
Setup Date: 2005-09-15 Date: 2006-07-16
Setup Temp: 4 Date: 2006-07-16
Crystal Conditions: GNF3 Date: 2006-07-16
Drop Volume (nl): 200.0 Date: 2006-07-16
Precipitate Volume (nl): 200 Date: 2006-07-16
Reservoir Volume (ul): 50.0 Date: 2006-07-16

Plate: 33157 (G0013755) Cell: XT Date: 2005-09-15 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F01

Screen Type: Sparse Matrix Date: 2006-07-16
Setup Date: 2005-09-15 Date: 2006-07-16
Setup Temp: 4 Date: 2006-07-16
Crystal Conditions: GNF4 Date: 2006-07-16
Drop Volume (nl): 200.0 Date: 2006-07-16
Precipitate Volume (nl): 200 Date: 2006-07-16
Reservoir Volume (ul): 50.0 Date: 2006-07-16

Plate: 34797 (G0015174) Cell: XT Date: 2005-12-13 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F01

Screen Type: Fine Date: 2006-07-16
Setup Date: 2005-12-13 Date: 2006-07-16
Setup Temp: 4 Date: 2006-07-16
Crystal Conditions: G0015174-GNF3-A06 Date: 2006-07-16
Drop Volume (nl): 200.0 Date: 2006-07-16
Precipitate Volume (nl): 200 Date: 2006-07-16
Reservoir Volume (ul): 50.0 Date: 2006-07-16

Plate: 34798 (G0015178) Cell: XT Date: 2005-12-13 Status: Success Previous Location: Plate: 32957 (E-0555) Cell: F01

Screen Type: Fine Date: 2006-07-16
Setup Date: 2005-12-13 Date: 2006-07-16
Setup Temp: 20 Date: 2006-07-16
Crystal Conditions: G0015178-GNF3-A06 Date: 2006-07-16
Drop Volume (nl): 200.0 Date: 2006-07-16
Precipitate Volume (nl): 200 Date: 2006-07-16
Reservoir Volume (ul): 50.0 Date: 2006-07-16

STAGE: Crystal Hit

Plate: 33154 (G0013535) Cell: A06 Date: 2005-09-15 Status: Success Previous Location: Plate: 33154 (G0013535) Cell: XT

Setup Date: 2005-09-15 Date: 2006-07-16
Screen Date: 2005-10-15 Date: 2006-07-16
Screen Conditions: GNF1 A06: 40.0% Ethanol, 0.05M MgCl2, 0.1M TRIS pH 8.5 Date: 2006-07-16

Plate: 33155 (G0013634) Cell: A11 Date: 2005-09-15 Status: Success Previous Location: Plate: 33155 (G0013634) Cell: XT

Setup Date: 2005-09-15 Date: 2009-09-13
Screen Date: 2005-10-15 Date: 2009-09-13
Screen Conditions: GNF2 A11: 2.0000M NH4H2PO4, 0.1M TRIS pH 8.5 Date: 2009-09-13
Crystal Classification: CRYSTAL HIT Date: 2009-09-13

Plate: 33155 (G0013634) Cell: G03 Date: 2005-09-15 Status: Success Previous Location: Plate: 33155 (G0013634) Cell: XT

Setup Date: 2005-09-15 Date: 2009-09-13
Screen Date: 2005-10-15 Date: 2009-09-13
Screen Conditions: GNF2 G03: 0.2M MgCl2, 40.0% PEG-400, 0.1M Citrate pH 5.5 Date: 2006-07-16

Plate: 33156 (G0013459) Cell: A06 Date: 2005-09-15 Status: Success Previous Location: Plate: 33156 (G0013459) Cell: XT

Setup Date: 2005-09-15 Date: 2006-07-16
Screen Date: 2005-10-15 Date: 2006-07-16
Screen Conditions: GNF3 A06: 0.2M K2HPO4, 20.0% PEG-3350, No Buffer pH 9.2 Date: 2006-07-16

Plate: 33156 (G0013459) Cell: A07 Date: 2005-09-15 Status: Success Previous Location: Plate: 33156 (G0013459) Cell: XT

Setup Date: 2005-09-15 Date: 2006-07-16
Screen Date: 2005-10-15 Date: 2006-07-16
Screen Conditions: GNF3 A07: 0.2M Na2HPO4, 20.0% PEG-3350, No Buffer pH 9.1 Date: 2006-07-16

Plate: 33156 (G0013459) Cell: B11 Date: 2005-09-15 Status: Success Previous Location: Plate: 33156 (G0013459) Cell: XT

Setup Date: 2005-09-15 Date: 2006-07-16
Screen Date: 2005-10-15 Date: 2006-07-16
Screen Conditions: GNF3 B11: 0.2M (NH4)2HPO4, 20.0% PEG-3350, No Buffer pH 7.9 Date: 2006-07-16

Plate: 33156 (G0013459) Cell: D07 Date: 2005-09-15 Status: Success Previous Location: Plate: 33156 (G0013459) Cell: XT

Setup Date: 2005-09-15 Date: 2006-07-16
Screen Date: 2005-10-15 Date: 2006-07-16
Screen Conditions: GNF3 D07: 1.0M LiCl, 20.0% PEG-6000, 0.1M HEPES pH 7.0 Date: 2006-07-16

Plate: 33156 (G0013459) Cell: D11 Date: 2005-09-15 Status: Success Previous Location: Plate: 33156 (G0013459) Cell: XT

Setup Date: 2005-09-15 Date: 2006-07-16
Screen Date: 2005-10-15 Date: 2006-07-16
Screen Conditions: GNF3 D11: 35.0% 2-ethoxyethanol, 0.2M NaCl, 0.1M Na,K-Phosphate pH 6.2 Date: 2006-07-16

Plate: 33156 (G0013459) Cell: F03 Date: 2005-09-15 Status: Success Previous Location: Plate: 33156 (G0013459) Cell: XT

Setup Date: 2005-09-15 Date: 2006-07-16
Screen Date: 2005-10-15 Date: 2006-07-16
Screen Conditions: GNF3 F03: 35.0% MPD, 0.1M Na,K-Phosphate pH 6.3 Date: 2006-07-16

Plate: 34797 (G0015174) Cell: A04 Date: 2005-12-13 Status: Success Previous Location: Plate: 34797 (G0015174) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015174-GNF3-B11 A04: 20.0000% PEG-3350, 0.1500M (NH4)2HPO4 Date: 2009-07-18
Crystal Classification: CRYSTAL HIT Date: 2009-07-18

Plate: 34797 (G0015174) Cell: A10 Date: 2005-12-13 Status: Success Previous Location: Plate: 34797 (G0015174) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015174-GNF3-B11 A10: 20.0000% PEG-3350, 0.1500M (NH4)2HPO4 Date: 2009-07-18
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-07-18

Plate: 34797 (G0015174) Cell: B04 Date: 2005-12-13 Status: Success Previous Location: Plate: 34797 (G0015174) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015174-GNF3-B11 B04: 20.0000% PEG-3350, 0.2000M (NH4)2HPO4 Date: 2009-07-18
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-07-18

Plate: 34797 (G0015174) Cell: B10 Date: 2005-12-13 Status: Success Previous Location: Plate: 34797 (G0015174) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015174-GNF3-B11 B10: 20.0000% PEG-3350, 0.2000M (NH4)2HPO4 Date: 2009-07-18
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-07-18

Plate: 34797 (G0015174) Cell: G04 Date: 2005-12-13 Status: Success Previous Location: Plate: 34797 (G0015174) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015174-GNF3-A06 G04: 20.0000% PEG-3350, 0.2500M KH2PO4 Date: 2009-07-18
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-07-18

Plate: 34797 (G0015174) Cell: G06 Date: 2005-12-13 Status: Success Previous Location: Plate: 34797 (G0015174) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015174-GNF3-A06 G06: 24.0000% PEG-3350, 0.2500M KH2PO4 Date: 2009-07-18
Crystal Classification: CRYSTAL HIT Date: 2009-07-18

Plate: 34797 (G0015174) Cell: H12 Date: 2005-12-13 Status: Success Previous Location: Plate: 34797 (G0015174) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015174-GNF3-A06 H12: 30.0000% PEG-3350, 0.4000M KH2PO4 Date: 2009-07-18
Crystal Classification: CRYSTAL HIT Date: 2009-07-18

Plate: 34798 (G0015178) Cell: B01 Date: 2005-12-13 Status: Success Previous Location: Plate: 34798 (G0015178) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015178-GNF3-B11 B01: 8.0000% PEG-3350, 0.2000M (NH4)2HPO4 Date: 2009-07-18
Crystal Classification: CRYSTAL HIT Date: 2009-07-18

Plate: 34798 (G0015178) Cell: H11 Date: 2005-12-13 Status: Success Previous Location: Plate: 34798 (G0015178) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015178-GNF3-A06 H11: 25.0000% PEG-3350, 0.4000M KH2PO4 Date: 2009-07-18
Crystal Classification: CRYSTAL HIT Date: 2009-07-18

Plate: 34798 (G0015178) Cell: H12 Date: 2005-12-13 Status: Success Previous Location: Plate: 34798 (G0015178) Cell: XT

Setup Date: 2005-12-13 Date: 2009-07-18
Screen Date: 2006-01-12 Date: 2009-07-18
Screen Conditions: G0015178-GNF3-A06 H12: 30.0000% PEG-3350, 0.4000M KH2PO4 Date: 2009-07-18
Crystal Classification: CRYSTAL HIT Date: 2009-07-18

STAGE: SDC Receiving

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: I6 Date: 2005-09-27 Status: Success - Backfilled Previous Location: Plate: 33156 (G0013459) Cell: A06

Shipment ID: 621 Date: 2005-09-28

Cryo Conditions: 10% Glycerol Date: 2005-09-28
Crystal Comments: rod like: Met-Inhibition - missing MS data (09/27/05) Date: 2005-09-28
Ship Date: 2005-09-27 Date: 2005-09-28
Crystal Id: 19461 Date: 2005-09-28
Pin Position: 627 Date: 2005-09-28
Ship Position: SSRL 00126 Date: 2005-09-28
Mount Date: 2005-09-27 Date: 2005-09-28

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: I7 Date: 2005-09-27 Status: Success - Backfilled Previous Location: Plate: 33156 (G0013459) Cell: A06

Shipment ID: 621 Date: 2005-09-28

Cryo Conditions: 10% Glycerol Date: 2005-09-28
Crystal Comments: rod like: Met-Inhibition - missing MS data (09/27/05) Date: 2005-09-28
Ship Date: 2005-09-27 Date: 2005-09-28
Crystal Id: 19462 Date: 2005-09-28
Ship Position: SSRL 00126 Date: 2005-09-28
Mount Date: 2005-09-27 Date: 2005-09-28

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: I8 Date: 2005-09-27 Status: Success - Backfilled Previous Location: Plate: 33156 (G0013459) Cell: A06

Shipment ID: 621 Date: 2005-09-28

Cryo Conditions: 10% Glycerol Date: 2005-09-28
Crystal Comments: rod like: Met-Inhibition - missing MS data (09/27/05) Date: 2005-09-28
Ship Date: 2005-09-27 Date: 2005-09-28
Crystal Id: 19463 Date: 2005-09-28
Ship Position: SSRL 00126 Date: 2005-09-28
Mount Date: 2005-09-27 Date: 2005-09-28

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J1 Date: 2005-09-27 Status: Success - Backfilled Previous Location: Plate: 33156 (G0013459) Cell: A06

Shipment ID: 621 Date: 2005-09-28

Cryo Conditions: 10% Glycerol Date: 2005-09-28
Crystal Comments: rod like: Met-Inhibition - missing MS data (09/27/05) Date: 2005-09-28
Ship Date: 2005-09-27 Date: 2005-09-28
Crystal Id: 19464 Date: 2005-09-28
Pin Position: 2429 Date: 2005-09-28
Ship Position: SSRL 00126 Date: 2005-09-28
Mount Date: 2005-09-27 Date: 2005-09-28

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J2 Date: 2005-09-27 Status: Success - Backfilled Previous Location: Plate: 33156 (G0013459) Cell: B11

Shipment ID: 621 Date: 2005-09-28

Cryo Conditions: 10% Ethylene-Glycol Date: 2005-09-28
Crystal Comments: rod like: Met-Inhibition - missing MS data (09/27/05) Date: 2005-09-28
Ship Date: 2005-09-27 Date: 2005-09-28
Crystal Id: 19465 Date: 2005-09-28
Pin Position: 1669 Date: 2005-09-28
Ship Position: SSRL 00126 Date: 2005-09-28
Mount Date: 2005-09-27 Date: 2005-09-28

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J3 Date: 2005-09-27 Status: Success - Backfilled Previous Location: Plate: 33156 (G0013459) Cell: B11

Shipment ID: 621 Date: 2005-09-28

Cryo Conditions: 10% Ethylene-Glycol Date: 2005-09-28
Crystal Comments: rod like: Met-Inhibition - missing MS data (09/27/05) Date: 2005-09-28
Ship Date: 2005-09-27 Date: 2005-09-28
Crystal Id: 19466 Date: 2005-09-28
Pin Position: 305 Date: 2005-09-28
Ship Position: SSRL 00126 Date: 2005-09-28
Stop Flag: 0 Date: 2006-03-14
SDC Stage: 2900 Date: 2006-03-15
Mount Date: 2005-09-27 Date: 2005-09-28

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J4 Date: 2005-09-27 Status: Success - Backfilled Previous Location: Plate: 33156 (G0013459) Cell: B11

Shipment ID: 621 Date: 2005-09-28

Cryo Conditions: 10% Ethylene-Glycol Date: 2005-09-28
Crystal Comments: rod like: Met-Inhibition - missing MS data (09/27/05) Date: 2005-09-28
Ship Date: 2005-09-27 Date: 2005-09-28
Crystal Id: 19467 Date: 2005-09-28
Ship Position: SSRL 00126 Date: 2005-09-28
Mount Date: 2005-09-27 Date: 2005-09-28

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J5 Date: 2005-09-27 Status: Success - Backfilled Previous Location: Plate: 33156 (G0013459) Cell: B11

Shipment ID: 621 Date: 2005-09-28

Cryo Conditions: 10% Ethylene-Glycol Date: 2005-09-28
Crystal Comments: rod like: Met-Inhibition - missing MS data (09/27/05) Date: 2005-09-28
Ship Date: 2005-09-27 Date: 2005-09-28
Crystal Id: 19468 Date: 2005-09-28
Pin Position: 2725 Date: 2005-09-28
Ship Position: SSRL 00126 Date: 2005-09-28
Mount Date: 2005-09-27 Date: 2005-09-28

Dewar: 33913 (Batman-11/09/2005) Cassette: SSRL 00127 (SSRL 00127Batman-11/09/2005) Cell: A1 Date: 2005-11-09 Status: Success - Backfilled Previous Location: Plate: 33155 (G0013634) Cell: G03

Shipment ID: 643 Date: 2005-11-10

Crystal Comments: cube like - Met-Inhibition - confirmed MS data (11/09/05) Date: 2005-11-10
Ship Date: 2005-11-09 Date: 2005-11-10
Crystal Id: 20352 Date: 2005-11-10
Pin Position: 4719 Date: 2005-11-10
Ship Position: SSRL 00127 Date: 2005-11-10
Mount Date: 2005-11-09 Date: 2005-11-10

STAGE: Screening

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: I6 Date: 2005-10-06 Status: Success

Image Directory: /data/jcsg/ssrl1/micro/20051006/cassette126/CL5846B Date: 2005-10-10
Xtal Quality: 4 Date: 2005-10-10
Ice Rings: 0 Date: 2005-10-10
Diffraction Quality: 1 Date: 2005-10-10
Single Xtal: ? Date: 2005-10-10
Spot Shape: 7 Date: 2005-10-10
Maximum Resolution: 6.3 Date: 2005-10-10
Beamline: SSRL MICR Date: 2005-10-10
Robot Y or N: 1 Date: 2005-10-10
Screen Date: 2005-10-06 Date: 2005-10-10
Freezing: CLEAR Date: 2005-10-10
Loop: OK Date: 2005-10-10
Crystal Size: LARGE Date: 2005-10-10
Crystal Shape: 1D Date: 2005-10-10
Crystal Condition: SINGLE Date: 2005-10-10
Comments: 20 min exposure Date: 2005-10-10

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: I7 Date: 2005-10-06 Status: Success

Image Directory: /data/jcsg/ssrl1/micro/20051006/cassette126/CL5846B Date: 2005-10-10
Xtal Quality: 4 Date: 2005-10-10
Ice Rings: 0 Date: 2005-10-10
Diffraction Quality: 1 Date: 2005-10-10
Single Xtal: ? Date: 2005-10-10
Spot Shape: 5 Date: 2005-10-10
Maximum Resolution: 6.2 Date: 2005-10-10
Beamline: SSRL MICR Date: 2005-10-10
Robot Y or N: 1 Date: 2005-10-10
Screen Date: 2005-10-06 Date: 2005-10-10
Freezing: CLEAR Date: 2005-10-10
Loop: OK Date: 2005-10-10
Crystal Size: LARGE Date: 2005-10-10
Crystal Shape: 3D Date: 2005-10-10
Crystal Condition: SINGLE Date: 2005-10-10
Comments: 20 min exposure Date: 2005-10-10

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: I8 Date: 2005-10-06 Status: Success

Image Directory: /data/jcsg/ssrl1/micro/20051006/cassette126/CL5846B Date: 2005-10-10
Xtal Quality: 1 Date: 2005-10-10
Ice Rings: 0 Date: 2005-10-10
Diffraction Quality: 1 Date: 2005-10-10
Single Xtal: ? Date: 2005-10-10
Spot Shape: 7 Date: 2005-10-10
Maximum Resolution: 19.5 Date: 2005-10-10
Beamline: SSRL MICR Date: 2005-10-10
Robot Y or N: 1 Date: 2005-10-10
Screen Date: 2005-10-06 Date: 2005-10-10
Freezing: CLEAR Date: 2005-10-10
Loop: OK Date: 2005-10-10
Crystal Size: LARGE Date: 2005-10-10
Crystal Shape: 3D Date: 2005-10-10
Crystal Condition: SINGLE Date: 2005-10-10
Comments: 20 min exposure Date: 2005-10-10

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J1 Date: 2005-10-06 Status: Success

Image Directory: /data/jcsg/ssrl1/micro/20051006/cassette126/CL5846B Date: 2005-10-10
Xtal Quality: 4 Date: 2005-10-10
Ice Rings: 0 Date: 2005-10-10
Diffraction Quality: 1 Date: 2005-10-10
Single Xtal: ? Date: 2005-10-10
Spot Shape: 7 Date: 2005-10-10
Maximum Resolution: 6.9 Date: 2005-10-10
Beamline: SSRL MICR Date: 2005-10-10
Robot Y or N: 1 Date: 2005-10-10
Screen Date: 2005-10-06 Date: 2005-10-10
Freezing: CLEAR Date: 2005-10-10
Loop: OK Date: 2005-10-10
Crystal Size: LARGE Date: 2005-10-10
Crystal Shape: 1D Date: 2005-10-10
Crystal Condition: SINGLE Date: 2005-10-10
Comments: 20 min exposure Date: 2005-10-10

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J2 Date: 2005-10-06 Status: Success

Image Directory: /data/jcsg/ssrl1/micro/20051006/cassette126/CL5846B Date: 2005-10-10
Xtal Quality: 2 Date: 2005-10-10
Ice Rings: 0 Date: 2005-10-10
Diffraction Quality: 1 Date: 2005-10-10
Single Xtal: ? Date: 2005-10-10
Spot Shape: 7 Date: 2005-10-10
Maximum Resolution: 11 Date: 2005-10-10
Beamline: SSRL MICR Date: 2005-10-10
Robot Y or N: 1 Date: 2005-10-10
Screen Date: 2005-10-06 Date: 2005-10-10
Freezing: CLEAR Date: 2005-10-10
Loop: OK Date: 2005-10-10
Crystal Size: LARGE Date: 2005-10-10
Crystal Shape: 3D Date: 2005-10-10
Crystal Condition: SINGLE Date: 2005-10-10
Comments: 20 min exposure Date: 2005-10-10

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J3 Date: 2005-10-06 Status: Success

Image Directory: /data/jcsg/ssrl1/micro/20051006/cassette126/CL5846B Date: 2009-11-10
Xtal Quality: 7 Date: 2009-11-10
Ice Rings: 0 Date: 2009-11-10
Diffraction Quality: 3 Date: 2009-11-10
Single Xtal: 1 Date: 2009-11-10
Spot Shape: 7 Date: 2009-11-10
Maximum Resolution: 3.3 Date: 2009-11-10
Beamline: SSRL MICR Date: 2009-11-10
Robot Y or N: 1 Date: 2009-11-10
Screen Date: 2005-10-06 Date: 2009-11-10
Freezing: CLEAR Date: 2009-11-10
Loop: OK Date: 2009-11-10
Crystal Size: LARGE Date: 2009-11-10
Crystal Shape: 3D Date: 2009-11-10
Crystal Condition: SINGLE Date: 2009-11-10
Comments: 20 min exposure Date: 2009-11-10

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J4 Date: 2005-10-06 Status: Success

Image Directory: /data/jcsg/ssrl1/micro/20051006/cassette126/CL5846B Date: 2005-10-10
Xtal Quality: 2 Date: 2005-10-10
Ice Rings: 0 Date: 2005-10-10
Diffraction Quality: 1 Date: 2005-10-10
Single Xtal: ? Date: 2005-10-10
Spot Shape: 7 Date: 2005-10-10
Maximum Resolution: 9.7 Date: 2005-10-10
Beamline: SSRL MICR Date: 2005-10-10
Robot Y or N: 1 Date: 2005-10-10
Screen Date: 2005-10-06 Date: 2005-10-10
Freezing: CLEAR Date: 2005-10-10
Loop: OK Date: 2005-10-10
Crystal Size: SMALL Date: 2005-10-10
Crystal Shape: 1D Date: 2005-10-10
Crystal Condition: SINGLE Date: 2005-10-10
Comments: 20 min exposure Date: 2005-10-10

Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J5 Date: 2005-10-06 Status: Success

Image Directory: /data/jcsg/ssrl1/micro/20051006/cassette126/CL5846B Date: 2005-10-10
Xtal Quality: 3 Date: 2005-10-10
Ice Rings: 7 Date: 2005-10-10
Diffraction Quality: 1 Date: 2005-10-10
Single Xtal: 1 Date: 2005-10-10
Spot Shape: 7 Date: 2005-10-10
Maximum Resolution: 9.7 Date: 2005-10-10
Beamline: SSRL MICR Date: 2005-10-10
Robot Y or N: 1 Date: 2005-10-10
Screen Date: 2005-10-06 Date: 2005-10-10
Freezing: ICEBALL Date: 2005-10-10
Loop: OK Date: 2005-10-10
Crystal Size: CND Date: 2005-10-10
Crystal Shape: CND Date: 2005-10-10
Crystal Condition: CND Date: 2005-10-10
Comments: 20 min exposure Date: 2005-10-10

Dewar: 33913 (Batman-11/09/2005) Cassette: SSRL 00127 (SSRL 00127Batman-11/09/2005) Cell: A1 Date: 2005-12-10 Status: Success

Image Directory: /data/jcsg/ssrl2/1_5/20051210/screening/cassette127/CL5846B Date: 2005-12-19
Xtal Quality: 4 Date: 2005-12-19
Ice Rings: 0 Date: 2005-12-19
Diffraction Quality: 10 Date: 2005-12-19
Single Xtal: 0 Date: 2005-12-19
Spot Shape: 4 Date: 2005-12-19
Maximum Resolution: 1.6 Date: 2005-12-19
Beamline: SSRL BL1-5 Date: 2005-12-19
Robot Y or N: 1 Date: 2005-12-19
Screen Date: 2005-12-10 Date: 2005-12-19
Freezing: CLEAR Date: 2005-12-19
Loop: OK Date: 2005-12-19
Crystal Size: LARGE Date: 2005-12-19
Crystal Shape: 3D Date: 2005-12-19
Crystal Condition: SINGLE Date: 2005-12-19

STAGE: Data Collection

Collection: 33684 Cell: 1 Date: 2005-10-12 Status: Success - Backfilled Previous Location: Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J3

CollectData.xml: CollectData.xml Date: 2005-10-24
Beamline.xml: beamline.xml Date: 2005-10-24
Notes file: input_collect.xml Date: 2005-10-24
Beamline: 8.3.1 Date: 2005-10-24
ExperimentType: X-Ray Date: 2005-10-24
Program name: Blu-Ice Date: 2005-10-24
Program version: 3.2 Date: 2005-10-24
Synchrotron: ALS Date: 2005-10-24
Detector name: Q210 Date: 2005-10-24
Detector type: CCD Date: 2005-10-24
Detector serial: 442 Date: 2005-10-24
Detector manufacturer: ADSC Date: 2005-10-24
BeamlineInfoURL: http://biosync.sdsc.edu/als/8.3.1.html Date: 2005-10-24
MOSFLM_DETECTOR_PARAMETERS: SCANNER OMEGA 90 ROTATION HORIZ ANTI FAST HORIZ ORIGIN UR RECTANG TYPE ADSC LIMITS RMIN 8 RMAX 210.0 YMAX 210.0 XMAX 210.0 XSCAN 210.0 YSCAN 210.0 ADCOFFSET 20 GAIN 0.17 NULLPIX 0 OVERLOAD CUTOFF 65534 PROFILE OPTIMIZE CUTOFF 65535 DISTORTION YSCALE 1.0000 TILT 0 TWIST 0 Date: 2005-10-24
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.9 DIVERGENCE 0.1 0.02 DISPERSION 0.0001 Date: 2005-10-24
DC Date: 2005-10-12 Date: 2005-10-24
Performed By: Herbert Axelrod Date: 2005-10-24
Temperature (K): 100 Date: 2005-10-24
Beamline: 8.3.1 Date: 2005-10-24
ImageDirectory: /data/jcsg/als1/8.3.1/20051011/collection/CL5846B/19466/ Date: 2005-10-24
Description: l1s1 Date: 2005-10-24
Wavelength: 0.979718 Date: 2005-10-24
Anomalous fprimv: -11.4 Date: 2005-10-24
Anomalous fprprv: 3.8 Date: 2005-10-24
DetectorMode: undefined Date: 2005-10-24
Distance: 199.99 Date: 2005-10-24
BeamCenter X: 108.6 Date: 2005-10-24
BeamCenter Y: 102.12 Date: 2005-10-24
ImagePrefix: 19466_1_E1 Date: 2005-10-24
ImageSuffix: img Date: 2005-10-24
PhiDelta: 1.000 Date: 2005-10-24
PhiStart: 150.000 Date: 2005-10-24
FrameNumber start: 1 Date: 2005-10-24
FrameNumber end: 90 Date: 2005-10-24

Collection: 33684 Cell: 2 Date: 2005-10-12 Status: Success - Backfilled Previous Location: Dewar: 33324 (Setter-09/27/2005) Cassette: SSRL 00126 (SSRL 00126Setter-09/27/2005) Cell: J3

CollectData.xml: CollectData.xml Date: 2005-10-24
Beamline.xml: beamline.xml Date: 2005-10-24
Notes file: input_collect.xml Date: 2005-10-24
Beamline: 8.3.1 Date: 2005-10-24
ExperimentType: X-Ray Date: 2005-10-24
Program name: Blu-Ice Date: 2005-10-24
Program version: 3.2 Date: 2005-10-24
Synchrotron: ALS Date: 2005-10-24
Detector name: Q210 Date: 2005-10-24
Detector type: CCD Date: 2005-10-24
Detector serial: 442 Date: 2005-10-24
Detector manufacturer: ADSC Date: 2005-10-24
BeamlineInfoURL: http://biosync.sdsc.edu/als/8.3.1.html Date: 2005-10-24
MOSFLM_DETECTOR_PARAMETERS: SCANNER OMEGA 90 ROTATION HORIZ ANTI FAST HORIZ ORIGIN UR RECTANG TYPE ADSC LIMITS RMIN 8 RMAX 210.0 YMAX 210.0 XMAX 210.0 XSCAN 210.0 YSCAN 210.0 ADCOFFSET 20 GAIN 0.17 NULLPIX 0 OVERLOAD CUTOFF 65534 PROFILE OPTIMIZE CUTOFF 65535 DISTORTION YSCALE 1.0000 TILT 0 TWIST 0 Date: 2005-10-24
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.9 DIVERGENCE 0.1 0.02 DISPERSION 0.0001 Date: 2005-10-24
DC Date: 2005-10-12 Date: 2005-10-24
Performed By: Herbert Axelrod Date: 2005-10-24
Temperature (K): 100 Date: 2005-10-24
Beamline: 8.3.1 Date: 2005-10-24
ImageDirectory: /data/jcsg/als1/8.3.1/20051011/collection/CL5846B/19466/ Date: 2005-10-24
Description: l2s1 Date: 2005-10-24
Wavelength: 1.019859 Date: 2005-10-24
Anomalous fprimv: -2.7 Date: 2005-10-24
Anomalous fprprv: 0.54 Date: 2005-10-24
DetectorMode: undefined Date: 2005-10-24
Distance: 199.99 Date: 2005-10-24
BeamCenter X: 108.6 Date: 2005-10-24
BeamCenter Y: 102.12 Date: 2005-10-24
ImagePrefix: 19466_1_E2 Date: 2005-10-24
ImageSuffix: img Date: 2005-10-24
PhiDelta: 1.000 Date: 2005-10-24
PhiStart: 150.000 Date: 2005-10-24
FrameNumber start: 1 Date: 2005-10-24
FrameNumber end: 90 Date: 2005-10-24

STAGE: Integration

Collection: 33685 Cell: 1 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33684 Cell: 1

Integration Log File: INTEGRATE.LP Date: 2005-10-24
Integration Reflection File: INTEGRATE.HKL Date: 2005-10-24
Integration Name: l1s1 Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
Integration Program: Integration XDS Date: 2005-10-24
Program Version: August 2005 Date: 2005-10-24
Integration Date: 2005-10-24 Date: 2005-10-24

Collection: 33685 Cell: 2 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33684 Cell: 2

Integration Log File: INTEGRATE.LP Date: 2005-10-24
Integration Reflection File: INTEGRATE.HKL Date: 2005-10-24
Integration Name: l2s1 Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
Integration Program: Integration XDS Date: 2005-10-24
Program Version: August 2005 Date: 2005-10-24
Integration Date: 2005-10-24 Date: 2005-10-24

Collection: 33685 Cell: 3 Date: 2006-01-06 Status: Success - Backfilled Previous Location: Collection: 33684 Cell: 1

Integration Log File: 19466_1_E1_001.mosflm_log3 Date: 2006-02-03
Integration Reflection File: 19466_1_E1_001.mtz Date: 2006-02-03
Integration Name: l1s1_2.3 Date: 2006-02-03
Integration Comments: manual processing with mosflm to extend resolution to 2.3A p43 Date: 2006-02-03
Performed By: 2027 Date: 2006-02-03
Integration Program: MOSFLM Date: 2006-02-03
Program Version: 6.2.5 Date: 2006-02-03
Integration Date: 2006-01-06 Date: 2006-02-03

Collection: 33685 Cell: 4 Date: 2006-01-09 Status: Success - Backfilled Previous Location: Collection: 33684 Cell: 2

Integration Log File: 19466_1_E2_001.mosflm_log1 Date: 2006-02-03
Integration Reflection File: 19466_1_E2_001.mtz Date: 2006-02-03
Integration Name: l2s1_2.3 Date: 2006-02-03
Integration Comments: manual processing with mosflm to extend resolution to 2.3A p43 Date: 2006-02-03
Performed By: 2027 Date: 2006-02-03
Integration Program: MOSFLM Date: 2006-02-03
Program Version: 6.2.5 Date: 2006-02-03
Integration Date: 2006-01-09 Date: 2006-02-03

STAGE: Scaling

Collection: 33686 Cell: 1 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33685 Cell: 1

Scale Log File: XSCALE.LP Date: 2005-10-24
Scale Reflection File: scale.mtz Date: 2005-10-24
Scale Name: l1s1 Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
Scaling program: XSCALE Date: 2006-03-10
Program Version: August 2005 Date: 2006-03-10
Space group: P4 Date: 2006-03-10
Cell A: 65.01 Date: 2006-03-10
Cell B: 65.01 Date: 2006-03-10
Cell C: 143.63 Date: 2006-03-10
Angle Alpha: 90.00 Date: 2006-03-10
Angle Beta: 90.00 Date: 2006-03-10
Angle Gamma: 90.00 Date: 2006-03-10
High resolution overall: 2.50 Date: 2006-03-10
Low resolution overall: 5.35 Date: 2006-03-10
Rejection criteria sigma(I) overall: -3.0 Date: 2006-03-10
Completeness overall: 98.7% Date: 2006-03-10
Redundancy overall: 1.93591209665391 Date: 2006-03-10
Rsym(I) overall: 9.9% Date: 2006-03-10
I/sigma(I) overall: 7.79 Date: 2006-03-10
High resolution limit for highest resolution shell: 2.50 Date: 2006-03-10
Low resolution limit for highest resolution shell: 2.59 Date: 2006-03-10
Completeness shell: 93.5% Date: 2006-03-10
Redundancy shell: 1.91950707918196 Date: 2006-03-10
Rsym(I) shell: 48.1% Date: 2006-03-10
I/sigma(I) shell: 1.69 Date: 2006-03-10
Observed reflections overall: 77874 Date: 2006-03-10
Unmerged HKL File: nomerge.sca Date: 2005-10-24
Scaling Date: 2005-10-24 Date: 2005-10-24
Number of reflections: 77874 Date: 2006-03-10

Collection: 33686 Cell: 2 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33685 Cell: 2

Scale Log File: XSCALE.LP Date: 2005-10-24
Scale Reflection File: scale.mtz Date: 2005-10-24
Scale Name: l2s1 Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
Scaling program: XSCALE Date: 2006-03-09
Program Version: August 2005 Date: 2006-03-09
Space group: P4 Date: 2006-03-09
Cell A: 65.01 Date: 2006-03-09
Cell B: 65.01 Date: 2006-03-09
Cell C: 143.63 Date: 2006-03-09
Angle Alpha: 90.00 Date: 2006-03-09
Angle Beta: 90.00 Date: 2006-03-09
Angle Gamma: 90.00 Date: 2006-03-09
High resolution overall: 2.50 Date: 2006-03-09
Low resolution overall: 5.35 Date: 2006-03-09
Rejection criteria sigma(I) overall: -3.0 Date: 2006-03-09
Completeness overall: 99.0% Date: 2006-03-09
Redundancy overall: 1.93334986362509 Date: 2006-03-09
Rsym(I) overall: 8.7% Date: 2006-03-09
I/sigma(I) overall: 8.94 Date: 2006-03-09
High resolution limit for highest resolution shell: 2.50 Date: 2006-03-09
Low resolution limit for highest resolution shell: 2.59 Date: 2006-03-09
Completeness shell: 95.4% Date: 2006-03-09
Redundancy shell: 1.90981500513875 Date: 2006-03-09
Rsym(I) shell: 44.0% Date: 2006-03-09
I/sigma(I) shell: 1.85 Date: 2006-03-09
Observed reflections overall: 77972 Date: 2006-03-09
Unmerged HKL File: nomerge.sca Date: 2005-10-24
Scaling Date: 2005-10-24 Date: 2005-10-24
Number of reflections: 77972 Date: 2006-03-09

Collection: 33686 Cell: 3 Date: 2006-01-06 Status: Success - Backfilled Previous Location: Collection: 33685 Cell: 3

Scale Log File: 19466_1_E1_001.scale_log2 Date: 2006-02-03
Scale Reflection File: 19466_1_E1_001_scala.mtz Date: 2006-02-03
Scale Name: l1s1_2.3 Date: 2006-02-03
Scale Comments: manual processing with scale to extend resolution to 2.3A p43 Date: 2006-02-03
Performed By: 2027 Date: 2006-02-03
Scaling program: SCALA Date: 2006-02-03
Program Version: 3.2.5 Date: 2006-02-03
Space group: P43 Date: 2006-02-03
Cell A: 64.8499 Date: 2006-02-03
Cell B: 64.8499 Date: 2006-02-03
Cell C: 143.5327 Date: 2006-02-03
Angle Alpha: 90.0000 Date: 2006-02-03
Angle Beta: 90.0000 Date: 2006-02-03
Angle Gamma: 90.0000 Date: 2006-02-03
High resolution overall: 2.300 Date: 2006-02-03
Low resolution overall: 64.820 Date: 2006-02-03
Completeness overall: 100.0 Date: 2006-02-03
Redundancy overall: 3.7 Date: 2006-02-03
Rsym(I) overall: 0.131 Date: 2006-02-03
I/sigma(I) overall: 5.5 Date: 2006-02-03
High resolution limit for highest resolution shell: 2.30 Date: 2006-02-03
Low resolution limit for highest resolution shell: 2.36 Date: 2006-02-03
Completeness shell: 100.0 Date: 2006-02-03
Redundancy shell: 3.7 Date: 2006-02-03
Rsym(I) shell: 0.801 Date: 2006-02-03
I/sigma(I) shell: 0.9 Date: 2006-02-03
Observed reflections overall: 26310 Date: 2006-02-03
Unmerged HKL File: 19466_1_E1_001.scala_umerged.hkl Date: 2006-02-03
Scaling Date: 2006-01-06 Date: 2006-02-03
Number of reflections: 98218 Date: 2006-02-03

Collection: 33686 Cell: 4 Date: 2006-01-09 Status: Success - Backfilled Previous Location: Collection: 33685 Cell: 4

Scale Log File: 19466_1_E2_001.scale_log5 Date: 2006-02-03
Scale Reflection File: 19466_1_E2_001_scala.mtz Date: 2006-02-03
Scale Name: l2s1_2.3 Date: 2006-02-03
Scale Comments: manual processing with scale to extend resolution to 2.3A p43 Date: 2006-02-03
Performed By: 2027 Date: 2006-02-03
Scaling program: SCALA Date: 2006-02-03
Program Version: 3.2.5 Date: 2006-02-03
Space group: P43 Date: 2006-02-03
Cell A: 64.9146 Date: 2006-02-03
Cell B: 64.9146 Date: 2006-02-03
Cell C: 143.6479 Date: 2006-02-03
Angle Alpha: 90.0000 Date: 2006-02-03
Angle Beta: 90.0000 Date: 2006-02-03
Angle Gamma: 90.0000 Date: 2006-02-03
High resolution overall: 2.300 Date: 2006-02-03
Low resolution overall: 64.957 Date: 2006-02-03
Completeness overall: 100.0 Date: 2006-02-03
Redundancy overall: 3.7 Date: 2006-02-03
Rsym(I) overall: 11.4 Date: 2006-02-03
I/sigma(I) overall: 10.5 Date: 2006-02-03
High resolution limit for highest resolution shell: 2.30 Date: 2006-02-03
Low resolution limit for highest resolution shell: 2.36 Date: 2006-02-03
Completeness shell: 100.0 Date: 2006-02-03
Redundancy shell: 3.7 Date: 2006-02-03
Rsym(I) shell: 74.7 Date: 2006-02-03
I/sigma(I) shell: 1.4 Date: 2006-02-03
Observed reflections overall: 26393 Date: 2006-02-03
Unmerged HKL File: 19466_1_E2_001.scala_umerged.hkl Date: 2006-02-03
Scaling Date: 2006-01-09 Date: 2006-02-03
Number of reflections: 98457 Date: 2006-02-03

STAGE: Truncating

Collection: 33687 Cell: 1 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33686 Cell: 1

Truncate Name: l1s1 Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
Truncate Log File: truncate.log Date: 2005-10-24
Truncate Reflection File: truncate.mtz Date: 2005-10-24
truncate program version: 5.0 Date: 2006-03-09
Unique reflections overall: 163800 Date: 2006-03-09
Wilson_Bfact: 39.342 Date: 2006-03-09
Truncate Date: 2005-10-24 Date: 2005-10-24
Cell A: 64.9800 Date: 2006-03-09
Cell B: 64.9800 Date: 2006-03-09
Cell C: 143.5700 Date: 2006-03-09
Angle Alpha: 90.0000 Date: 2006-03-09
Angle Beta: 90.0000 Date: 2006-03-09
Angle Gamma: 90.0000 Date: 2006-03-09
Unique Reflections: 20476 Date: 2006-03-09
Resolution Range Low: 29.604 Date: 2006-03-09
Resolution Range High: 2.500 Date: 2006-03-09

Collection: 33687 Cell: 2 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33686 Cell: 2

Truncate Name: l2s1 Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
Truncate Log File: truncate.log Date: 2005-10-24
Truncate Reflection File: truncate.mtz Date: 2005-10-24
truncate program version: 5.0 Date: 2006-03-09
Unique reflections overall: 164152 Date: 2006-03-09
Wilson_Bfact: 40.424 Date: 2006-03-09
Truncate Date: 2005-10-24 Date: 2005-10-24
Cell A: 65.0100 Date: 2006-03-09
Cell B: 65.0100 Date: 2006-03-09
Cell C: 143.6300 Date: 2006-03-09
Angle Alpha: 90.0000 Date: 2006-03-09
Angle Beta: 90.0000 Date: 2006-03-09
Angle Gamma: 90.0000 Date: 2006-03-09
Unique Reflections: 20520 Date: 2006-03-09
Resolution Range Low: 29.617 Date: 2006-03-09
Resolution Range High: 2.500 Date: 2006-03-09

Collection: 33687 Cell: 3 Date: 2006-01-06 Status: Success - Backfilled Previous Location: Collection: 33686 Cell: 3

Truncate Name: l1s1_2.3 Date: 2006-02-03
Truncate Comments: manual processing with truncate to extend resolution to 2.3A p43 2 mol per ASU Date: 2006-02-03
Performed By: 2027 Date: 2006-02-03
Truncate Log File: 19466_1_E1_001.truncate_log2 Date: 2006-02-03
Truncate Reflection File: 19466_1_E1_001_F.mtz Date: 2006-02-03
truncate program version: 5.0 Date: 2006-03-09
Unique reflections overall: 210208 Date: 2006-03-09
Wilson_Bfact: 38.745 Date: 2006-03-09
Truncate Date: 2006-01-06 Date: 2006-02-03
Cell A: 64.8499 Date: 2006-03-09
Cell B: 64.8499 Date: 2006-03-09
Cell C: 143.5327 Date: 2006-03-09
Angle Alpha: 90.0000 Date: 2006-03-09
Angle Beta: 90.0000 Date: 2006-03-09
Angle Gamma: 90.0000 Date: 2006-03-09
Unique Reflections: 26307 Date: 2006-03-09
Resolution Range Low: 59.131 Date: 2006-03-09
Resolution Range High: 2.300 Date: 2006-03-09

Collection: 33687 Cell: 4 Date: 2006-02-02 Status: Success - Backfilled Previous Location: Collection: 33686 Cell: 4

Truncate Name: l2s1_2.3 Date: 2006-02-03
Truncate Comments: manual processing with truncate to extend resolution to 2.3A p43 2 mol per ASU Date: 2006-02-03
Performed By: 2027 Date: 2006-02-03
Truncate Log File: 19466_1_E2_001.truncate_log5 Date: 2006-02-03
Truncate Reflection File: 19466_1_E2_001_F.mtz Date: 2006-02-03
truncate program version: 5.0 Date: 2006-03-09
Unique reflections overall: 211032 Date: 2006-03-09
Wilson_Bfact: 40.090 Date: 2006-03-09
Truncate Date: 2006-02-02 Date: 2006-02-03
Cell A: 64.9146 Date: 2006-03-09
Cell B: 64.9146 Date: 2006-03-09
Cell C: 143.6479 Date: 2006-03-09
Angle Alpha: 90.0000 Date: 2006-03-09
Angle Beta: 90.0000 Date: 2006-03-09
Angle Gamma: 90.0000 Date: 2006-03-09
Unique Reflections: 26392 Date: 2006-03-09
Resolution Range Low: 59.155 Date: 2006-03-09
Resolution Range High: 2.300 Date: 2006-03-09

STAGE: Phasing

Collection: 33688 Cell: 1 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33687 Cell: 1 Collection: 33687 Cell: 2

Name of phasing run: shelxd-autoSHARP Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
Phasing reflection file: eden-unique.mtz Date: 2005-10-24
Phasing PRT log: hatom.pdb Date: 2005-10-24
Phasing log file: sharp_log.mmcif Date: 2005-10-24
Solution Type: MAD Date: 2005-10-24
Reference Wavelength: 0.979718 Date: 2005-10-24
Phasing Date: 2005-10-24 Date: 2005-10-24

STAGE: Density Modification

Collection: 33689 Cell: 1 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33687 Cell: 2 Collection: 33688 Cell: 1

Name of DM run: solomon Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
DM reflection file: eden_flat_47.0pc.mtz Date: 2005-10-24
DM log file: solo_47.0pc.log.html Date: 2005-10-24
DM Date: 2005-10-24 Date: 2005-10-24

STAGE: Tracing

Collection: 33690 Cell: 1 Date: 2005-10-24 Status: Success - Backfilled Previous Location: Collection: 33687 Cell: 2 Collection: 33689 Cell: 1 Collection: 33688 Cell: 1

Name of tracing run: resolve-iterative Date: 2005-10-24
Performed By: 79 Date: 2005-10-24
Tracing program: RESOLVE Date: 2005-10-24
Tracing log file: resolve_best.log Date: 2005-10-24
Tracing reflection file: resolve_best.mtz Date: 2005-10-24
Tracing PDB: resolve_best.pdb Date: 2005-10-24
Tracing Program Version: 2.03 Date: 2005-10-24
Tracing Date: 2005-10-24 Date: 2005-10-24

Collection: 33690 Cell: 2 Date: 2005-12-09 Status: Success - Backfilled Previous Location: Collection: 33690 Cell: 1 Collection: 33687 Cell: 1 Collection: 33689 Cell: 1 Collection: 33688 Cell: 1

Name of tracing run: manual Date: 2005-12-09
Performed By: 79 Date: 2005-12-09
Tracing Comments: manually completed trace, not refined; can be used as starting point for refinement; map/starting model @/data3/jcsg/xtal_process5/CL5846B/19466/try1/model_resolve/p43/nmol3/lambda12/ Date: 2005-12-09
Tracing program: REFMAC Date: 2005-12-09
Tracing log file: resolve_best.pdb Date: 2005-12-09
Tracing reflection file: resolve_best.mtz Date: 2005-12-09
Tracing PDB: cl5846b.pdb Date: 2005-12-09
Tracing Program Version: 5.2.0005 Date: 2005-12-09
Tracing Date: 2005-12-09 Date: 2005-12-09

STAGE: Refining

Collection: 35177 Cell: 1 Date: 2006-02-03 Status: Success - Backfilled Previous Location: Collection: 33690 Cell: 2 Collection: 33687 Cell: 4 Collection: 33689 Cell: 1 Collection: 33688 Cell: 1

Name of refinement run: qc1 Date: 2006-02-03
Performed By: 2027 Date: 2006-02-03
Refinement Comments: see refinement summary Date: 2006-02-03
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2006-02-03
RESOLUTION RANGE HIGH:: 2.30 Date: 2006-02-03
RESOLUTION RANGE LOW:: 59.155 Date: 2006-03-13
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2006-02-03
COMPLETENESS (WORKING+TEST) (%) :: 99.93 Date: 2006-02-03
NUMBER OF REFLECTIONS :: 24970 Date: 2006-02-03
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2006-02-03
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2006-02-03
R VALUE (WORKING SET) :: 0.20726 Date: 2006-02-03
FREE R VALUE :: 0.25567 Date: 2006-02-03
FREE R VALUE TEST SET SIZE (%) :: 5.2 Date: 2006-02-03
FREE R VALUE TEST SET COUNT :: 1364 Date: 2006-02-03
TOTAL NUMBER OF BINS USED :: 20 Date: 2006-02-03
BIN RESOLUTION RANGE HIGH (A) :: 2.300 Date: 2006-02-03
BIN RESOLUTION RANGE LOW (A) :: 2.360 Date: 2006-02-03
REFLECTIONS IN BIN (WORKING SET) :: 1824 Date: 2006-02-03
BIN R VALUE (WORKING SET) :: 0.276 Date: 2006-02-03
BIN FREE R VALUE :: 0.365 Date: 2006-02-03
BIN FREE R VALUE TEST SET COUNT :: 95 Date: 2006-02-03
MEAN B VALUE (OVERALL, A**2) :: 32.244 Date: 2006-02-03
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: 0.74 Date: 2006-02-03
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: 0.74 Date: 2006-02-03
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -1.48 Date: 2006-02-03
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2006-02-03
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2006-02-03
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2006-02-03
SPACE GROUP: P43 Date: 2006-02-03
MAIN-CHAIN ANGLE RMS (A**2) :: 1.653 Date: 2006-02-03
BOND LENGTHS RMS DEVIATIONS (A) :: 0.018 Date: 2006-02-03
Refinement Log: 29_refmac5.log Date: 2006-02-03
Reflection File: refmac.mtz Date: 2006-02-03
PDB file: 12_refmac1.pdb Date: 2006-02-03
Refinement Map: refmac-2fofc.map Date: 2006-02-03
Refinement Difference Map: refmac-fofc.map Date: 2006-02-03
Program: CCP4 - REFMAC Date: 2006-03-13
Version: 5.2.0005 Date: 2006-03-13
Cell A: 64.915 Date: 2006-02-03
Cell B: 64.915 Date: 2006-02-03
Cell C: 143.648 Date: 2006-02-03
Angle Alpha: 90.00 Date: 2006-02-03
Angle Beta: 90.00 Date: 2006-02-03
Angle Gamma: 90.00 Date: 2006-02-03
ALL ATOMS: 2986 Date: 2006-02-03
ESU BASED ON R VALUE: 0.232 Date: 2006-02-03
ESU BASED ON FREE R VALUE: 0.207 Date: 2006-02-03
ESU BASED ON MAXIMUM LIKELIHOOD: 0.157 Date: 2006-02-03
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 12.302 Date: 2006-02-03
CORRELATION COEFFICIENT FO-FC: 0.939 Date: 2006-02-03
CORRELATION COEFFICIENT FO-FC FREE: 0.910 Date: 2006-02-03
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 2892 Date: 2006-02-03
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2006-02-03
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.949 Date: 2006-02-03
CHIRAL-CENTER RESTRAINTS RMS: 0.091 Date: 2006-02-03
TORSION ANGLES, PERIOD COUNT: 343::136::527::12 Date: 2006-02-03
TORSION ANGLES, PERIOD RMS: 7.145::39.484::16.708::13.918 Date: 2006-02-03
TORSION ANGLES, PERIOD WEIGHT: 5.000::24.853::15.000::15.000 Date: 2006-02-03
CHIRAL-CENTER RESTRAINTS COUNT: 434 Date: 2006-02-03
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2006-02-03
GENERAL PLANES REFINED ATOMS COUNT: 3137 Date: 2006-02-03
GENERAL PLANES REFINED ATOMS RMS: 0.006 Date: 2006-02-03
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2006-02-03
NON-BONDED CONTACTS REFINED ATOMS COUNT: 438 Date: 2006-02-03
NON-BONDED CONTACTS REFINED ATOMS RMS: 0.167 Date: 2006-02-03
NON-BONDED CONTACTS REFINED ATOMS WEIGHT: 0.200 Date: 2006-02-03
NON-BONDED CONTACTS OTHERS COUNT: 2527 Date: 2006-02-03
NON-BONDED CONTACTS OTHERS RMS: 0.182 Date: 2006-02-03
NON-BONDED CONTACTS OTHERS WEIGHT: 0.200 Date: 2006-02-03
H-BOND COUNT: 143 Date: 2006-02-03
H-BOND RMS: 0.185 Date: 2006-02-03
H-BOND WEIGHT: 0.200 Date: 2006-02-03
SYMMETRY VDW REFINED ATOMS COUNT: 21 Date: 2006-02-03
SYMMETRY VDW REFINED ATOMS RMS: 0.162 Date: 2006-02-03
SYMMETRY VDW REFINED ATOMS WEIGHT: 0.200 Date: 2006-02-03
MAIN-CHAIN BOND REFINED ATOMS COUNT: 1774 Date: 2006-02-03
MAIN-CHAIN BOND REFINED ATOMS RMS: 0.807 Date: 2006-02-03
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 1.500 Date: 2006-02-03
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 2778 Date: 2006-02-03
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 1.326 Date: 2006-02-03
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 2.000 Date: 2006-02-03
SIDE-CHAIN BOND REFINED ATOMS COUNT: 1308 Date: 2006-02-03
SIDE-CHAIN BOND REFINED ATOMS RMS: 1.878 Date: 2006-02-03
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 3.000 Date: 2006-02-03
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 1128 Date: 2006-02-03
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 2.886 Date: 2006-02-03
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 4.500 Date: 2006-02-03
METHOD USED: MASK Date: 2006-02-03
VDW PROBE RADIUS: 1.20 Date: 2006-02-03
ION PROBE RADIUS: 0.80 Date: 2006-02-03
SHRINKAGE RADIUS: 0.80 Date: 2006-02-03
Refinement Date : 2006-02-03 Date: 2006-02-03
Refinement Technical Note: qc_log.txt Date: 2006-02-03
Structure Refinement Summary: CL5846B_refinement_summary.doc Date: 2006-02-03

Collection: 35177 Cell: 2 Date: 2006-03-10 Status: Success - Backfilled Previous Location: Collection: 33690 Cell: 2 Collection: 33687 Cell: 4 Collection: 33689 Cell: 1 Collection: 33688 Cell: 1 Collection: 35177 Cell: 1

Name of refinement run: qc2 Date: 2006-03-10
Performed By: 2027 Date: 2006-03-10
Refinement Comments: see technical notes Date: 2006-03-10
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2006-03-10
RESOLUTION RANGE HIGH:: 2.30 Date: 2006-03-10
RESOLUTION RANGE LOW:: 59.155 Date: 2006-03-13
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2006-03-10
COMPLETENESS (WORKING+TEST) (%) :: 99.93 Date: 2006-03-10
NUMBER OF REFLECTIONS :: 24970 Date: 2006-03-10
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2006-03-10
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2006-03-10
R VALUE (WORKING SET) :: 0.20692 Date: 2006-03-10
FREE R VALUE :: 0.25414 Date: 2006-03-10
FREE R VALUE TEST SET SIZE (%) :: 5.2 Date: 2006-03-10
FREE R VALUE TEST SET COUNT :: 1364 Date: 2006-03-10
TOTAL NUMBER OF BINS USED :: 20 Date: 2006-03-10
BIN RESOLUTION RANGE HIGH (A) :: 2.300 Date: 2006-03-10
BIN RESOLUTION RANGE LOW (A) :: 2.360 Date: 2006-03-10
REFLECTIONS IN BIN (WORKING SET) :: 1824 Date: 2006-03-10
BIN R VALUE (WORKING SET) :: 0.277 Date: 2006-03-10
BIN FREE R VALUE :: 0.374 Date: 2006-03-10
BIN FREE R VALUE TEST SET COUNT :: 95 Date: 2006-03-10
MEAN B VALUE (OVERALL, A**2) :: 33.110 Date: 2006-03-10
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: 0.76 Date: 2006-03-10
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: 0.76 Date: 2006-03-10
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -1.52 Date: 2006-03-10
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2006-03-10
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2006-03-10
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2006-03-10
SPACE GROUP: P43 Date: 2006-03-10
MAIN-CHAIN ANGLE RMS (A**2) :: 1.606 Date: 2006-03-10
BOND LENGTHS RMS DEVIATIONS (A) :: 0.017 Date: 2006-03-10
Refinement Log: 30_refmac5.log Date: 2006-03-10
Reflection File: refmac.mtz Date: 2006-03-10
PDB file: 13_refmac1.pdb Date: 2006-03-10
Refinement Map: refmac-2fofc.map Date: 2006-03-10
Refinement Difference Map: refmac-fofc.map Date: 2006-03-10
Program: CCP4 - REFMAC Date: 2006-03-13
Version: 5.2.0005 Date: 2006-03-13
Cell A: 64.915 Date: 2006-03-10
Cell B: 64.915 Date: 2006-03-10
Cell C: 143.648 Date: 2006-03-10
Angle Alpha: 90.00 Date: 2006-03-10
Angle Beta: 90.00 Date: 2006-03-10
Angle Gamma: 90.00 Date: 2006-03-10
ALL ATOMS: 3026 Date: 2006-03-10
ESU BASED ON R VALUE: 0.235 Date: 2006-03-10
ESU BASED ON FREE R VALUE: 0.207 Date: 2006-03-10
ESU BASED ON MAXIMUM LIKELIHOOD: 0.156 Date: 2006-03-10
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 12.199 Date: 2006-03-10
CORRELATION COEFFICIENT FO-FC: 0.940 Date: 2006-03-10
CORRELATION COEFFICIENT FO-FC FREE: 0.911 Date: 2006-03-10
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 2927 Date: 2006-03-10
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2006-03-10
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.948 Date: 2006-03-10
CHIRAL-CENTER RESTRAINTS RMS: 0.087 Date: 2006-03-10
TORSION ANGLES, PERIOD COUNT: 347::138::531::13 Date: 2006-03-10
TORSION ANGLES, PERIOD RMS: 7.639::40.000::16.590::12.954 Date: 2006-03-10
TORSION ANGLES, PERIOD WEIGHT: 5.000::24.710::15.000::15.000 Date: 2006-03-10
CHIRAL-CENTER RESTRAINTS COUNT: 436 Date: 2006-03-10
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2006-03-10
GENERAL PLANES REFINED ATOMS COUNT: 3166 Date: 2006-03-10
GENERAL PLANES REFINED ATOMS RMS: 0.005 Date: 2006-03-10
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2006-03-10
NON-BONDED CONTACTS REFINED ATOMS COUNT: 443 Date: 2006-03-10
NON-BONDED CONTACTS REFINED ATOMS RMS: 0.169 Date: 2006-03-10
NON-BONDED CONTACTS REFINED ATOMS WEIGHT: 0.200 Date: 2006-03-10
NON-BONDED CONTACTS OTHERS COUNT: 2587 Date: 2006-03-10
NON-BONDED CONTACTS OTHERS RMS: 0.183 Date: 2006-03-10
NON-BONDED CONTACTS OTHERS WEIGHT: 0.200 Date: 2006-03-10
H-BOND COUNT: 153 Date: 2006-03-10
H-BOND RMS: 0.181 Date: 2006-03-10
H-BOND WEIGHT: 0.200 Date: 2006-03-10
SYMMETRY VDW REFINED ATOMS COUNT: 18 Date: 2006-03-10
SYMMETRY VDW REFINED ATOMS RMS: 0.168 Date: 2006-03-10
SYMMETRY VDW REFINED ATOMS