JCSG Target History

		Search JCSG

Target ID:

394118

Target Name:

MH15503A

Protein Accession:

NP_418508.1

Local Accession:

MH15503A

cDNA Accession:

REF|NC_000913.2|:C4305822-4304893

PSCA

PDB:3htv

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:	D-allose kinase	Start Position:	1	End Position:	309
GNF Target Alias:	HK100:SpeedET-MH15503A-eco-309-1-309	Sequence Type:	COMPLETE	Residues:	309
DNA Length:	927	Molecular Weight:	33819.11	Isoelectric Point:	6.55
Epsilon 280:	29450	Gravy Index:	-0.04	Species:	E. coli K12
Activated:	0	Alanine Absolute:	35	Alanine Relative:	0.1133
Arginine Absolute:	19	Arginine Relative:	0.0615	Asparagine Absolute:	15
Asparagine Relative:	0.0485	Aspartic Acid Absolute:	14	Aspartic Acid Relative:	0.0453
Cysteine Absolute:	9	Cysteine Relative:	0.0291	Glutamic Acid Absolute:	15
Glutamic Acid Relative:	0.0485	Glutamine Absolute:	15	Glutamine Relative:	0.0485
Glycine Absolute:	25	Glycine Relative:	0.0809	Histidine Absolute:	10
Histidine Relative:	0.0324	Isoleucine Absolute:	12	Isoleucine Relative:	0.0388
Leucine Absolute:	33	Leucine Relative:	0.1068	Lysine Absolute:	8
Lysine Relative:	0.0259	Methionine Absolute:	11	Methionine Relative:	0.0356
Phenylalanine Absolute:	13	Phenylalanine Relative:	0.0421	Proline Absolute:	18
Proline Relative:	0.0583	Serine Absolute:	11	Serine Relative:	0.0356
Threonine Absolute:	16	Threonine Relative:	0.0518	Tryptophan Absolute:	4
Tryptophan Relative:	0.0129	Tyrosine Absolute:	5	Tyrosine Relative:	0.0162
Valine Absolute:	21	Valine Relative:	0.0680	Project:	Mega families assigned to JCSG 05-2008
Selection Date:	2008-06-02	PFAM:	pdb file loaded for [Hinxton #105625]

STAGE: Proposed Target

Plate: 0 Cell: 394118 Date: 2008-06-02 Status: Success

STAGE: Active Target

Plate: 66174 Cell: F07 Date: 2008-08-06 Status: Success Previous Location: Plate: 0 Cell: 394118

Sample Name: HK100:SpeedET-MH15503A-eco-309-1-309 Date: 2008-09-06
GNF Project Name: PSI2_MegaFamiliesProj5_657(MH) Date: 2008-09-06
GNF Program Name: JCSG Date: 2008-09-06

STAGE: PCR Testing

Plate: 66174 Cell: F07 Date: 2008-08-06 Status: Success Previous Location: Plate: 66174 Cell: F07

STAGE: Amplifer Generation

Plate: 66174 Cell: F07 Date: 2008-08-06 Status: Success Previous Location: Plate: 66174 Cell: F07

STAGE: Orientation

Plate: 66174 Cell: F07 Date: 2008-08-06 Status: Success Previous Location: Plate: 66174 Cell: F07

STAGE: Plasmid Purification

Plate: 66174 (C-0629) Cell: F07 Date: 2008-08-06 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Clone ID: 47921 Date: 2008-08-12
Strain/Vector: HK100 Date: 2008-09-06
Clone Site: SpeedET Date: 2008-09-06
Cloned Date: 2008-08-07 Date: 2008-09-06

STAGE: Expression

Plate: 66176 (E-1549) Cell: F07 Date: 2008-08-06 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-08-06 Date: 2009-04-05
Protein ID: 146125 Date: 2008-08-12
Media: Small-scale (Mod. TB) Date: 2008-09-07

Plate: 66176 (E-1549) Cell: F08 Date: 2008-08-06 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-08-06 Date: 2009-04-05
Protein ID: 146126 Date: 2008-08-12
Media: Small-scale (Mod. TB) Date: 2008-09-07

Plate: 71749 (E-1681) Cell: A08 Date: 2008-12-18 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-12-18 Date: 2009-06-18
Protein ID: 249945 Date: 2008-12-20
Media: Met-Inhibition Date: 2009-06-18

Plate: 71749 (E-1681) Cell: B08 Date: 2008-12-18 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-12-18 Date: 2009-06-18
Protein ID: 249957 Date: 2008-12-20
Media: Met-Inhibition Date: 2009-06-18

Plate: 71749 (E-1681) Cell: C08 Date: 2008-12-18 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-12-18 Date: 2009-06-18
Protein ID: 249969 Date: 2008-12-20
Media: Met-Inhibition Date: 2009-06-18

Plate: 71749 (E-1681) Cell: D08 Date: 2008-12-18 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-12-18 Date: 2009-06-18
Protein ID: 249981 Date: 2008-12-20
Media: Met-Inhibition Date: 2009-06-18

Plate: 71749 (E-1681) Cell: E08 Date: 2008-12-18 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-12-18 Date: 2009-06-18
Protein ID: 249993 Date: 2008-12-20
Media: Met-Inhibition Date: 2009-06-18

Plate: 71749 (E-1681) Cell: F08 Date: 2008-12-18 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-12-18 Date: 2009-06-18
Protein ID: 250005 Date: 2008-12-20
Media: Met-Inhibition Date: 2009-06-18

Plate: 71749 (E-1681) Cell: G08 Date: 2008-12-18 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-12-18 Date: 2009-06-18
Protein ID: 250017 Date: 2008-12-20
Media: Met-Inhibition Date: 2009-06-18

Plate: 71749 (E-1681) Cell: H08 Date: 2008-12-18 Status: Success Previous Location: Plate: 66174 (C-0629) Cell: F07

Fermentation Date: 2008-12-18 Date: 2009-06-18
Protein ID: 250029 Date: 2008-12-20
Media: Met-Inhibition Date: 2009-06-18

STAGE: Protein Purification

Plate: 66176 (E-1549) Cell: F07 Date: 2008-08-12 Status: Success Previous Location: Plate: 66176 (E-1549) Cell: F07
Plate: 66176 (E-1549) Cell: F08 Date: 2008-08-12 Status: Success Previous Location: Plate: 66176 (E-1549) Cell: F08
Plate: 71749 (E-1681) Cell: A08 Date: 2008-12-20 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: A08

Purified Concentration (mg/mL): 20.0 Date: 2009-06-18

Plate: 71749 (E-1681) Cell: B08 Date: 2008-12-20 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: B08
Plate: 71749 (E-1681) Cell: C08 Date: 2008-12-20 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: C08
Plate: 71749 (E-1681) Cell: D08 Date: 2008-12-20 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: D08
Plate: 71749 (E-1681) Cell: E08 Date: 2008-12-20 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: E08
Plate: 71749 (E-1681) Cell: F08 Date: 2008-12-20 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: F08
Plate: 71749 (E-1681) Cell: G08 Date: 2008-12-20 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: G08
Plate: 71749 (E-1681) Cell: H08 Date: 2008-12-20 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: H08

STAGE: Crystallization

Plate: 74338 (G0043081) Cell: XT Date: 2009-02-25 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: A08

Screen Type: Sparse Matrix Date: 2009-03-22
Setup Date: 2009-02-25 Date: 2009-03-22
Setup Temp: 4 Date: 2009-03-22
Crystal Conditions: GNF1 Date: 2009-03-22
Drop Volume (nl): 200.0 Date: 2009-03-22
Precipitate Volume (nl): 200 Date: 2009-03-22
Reservoir Volume (ul): 50.0 Date: 2009-03-22

Plate: 74339 (G0043045) Cell: XT Date: 2009-02-25 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: A08

Screen Type: Sparse Matrix Date: 2009-03-22
Setup Date: 2009-02-25 Date: 2009-03-22
Setup Temp: 4 Date: 2009-03-22
Crystal Conditions: GNF2 Date: 2009-03-22
Drop Volume (nl): 200.0 Date: 2009-03-22
Precipitate Volume (nl): 200 Date: 2009-03-22
Reservoir Volume (ul): 50.0 Date: 2009-03-22

Plate: 74340 (G0042646) Cell: XT Date: 2009-02-25 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: A08

Screen Type: Sparse Matrix Date: 2009-03-22
Setup Date: 2009-02-25 Date: 2009-03-22
Setup Temp: 4 Date: 2009-03-22
Crystal Conditions: GNF3 Date: 2009-03-22
Drop Volume (nl): 200.0 Date: 2009-03-22
Precipitate Volume (nl): 200 Date: 2009-03-22
Reservoir Volume (ul): 50.0 Date: 2009-03-22

Plate: 74341 (G0042686) Cell: XT Date: 2009-02-25 Status: Success Previous Location: Plate: 71749 (E-1681) Cell: A08

Screen Type: Sparse Matrix Date: 2009-03-22
Setup Date: 2009-02-25 Date: 2009-03-22
Setup Temp: 4 Date: 2009-03-22
Crystal Conditions: GNF4 Date: 2009-03-22
Drop Volume (nl): 200.0 Date: 2009-03-22
Precipitate Volume (nl): 200 Date: 2009-03-22
Reservoir Volume (ul): 50.0 Date: 2009-03-22

STAGE: Crystal Hit

Plate: 74338 (G0043081) Cell: E11 Date: 2009-02-25 Status: Success Previous Location: Plate: 74338 (G0043081) Cell: XT

Setup Date: 2009-02-25 Date: 2009-04-12
Screen Date: 2009-03-11 Date: 2009-04-12
Screen Conditions: GNF1 E11: 20.0000% MPD, 0.1M MES pH 6.0 Date: 2009-04-12
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-12

Plate: 74338 (G0043081) Cell: F01 Date: 2009-02-25 Status: Success Previous Location: Plate: 74338 (G0043081) Cell: XT

Setup Date: 2009-02-25 Date: 2009-04-12
Screen Date: 2009-03-11 Date: 2009-04-12
Screen Conditions: GNF1 F01: 10.0000% PEG-6000, 0.1M MES pH 6.0 Date: 2009-04-05
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-05

Plate: 74338 (G0043081) Cell: F10 Date: 2009-02-25 Status: Success Previous Location: Plate: 74338 (G0043081) Cell: XT

Setup Date: 2009-02-25 Date: 2009-04-12
Screen Date: 2009-03-11 Date: 2009-04-12
Screen Conditions: GNF1 F10: 40.0000% Ethanol, 5.0000% PEG-1000, 0.1M Phosphate Citrate pH 4.2 Date: 2009-04-12
Crystal Classification: CRYSTAL HIT Date: 2009-04-12

Plate: 74339 (G0043045) Cell: D11 Date: 2009-02-25 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: XT

Setup Date: 2009-02-25 Date: 2009-09-13
Screen Date: 2009-03-25 Date: 2009-09-13
Screen Conditions: GNF2 D11: 12.0000% PEG-20000, 0.1M MES pH 6.5 Date: 2009-09-13
Crystal Classification: CRYSTAL HIT Date: 2009-09-13

Plate: 74339 (G0043045) Cell: E02 Date: 2009-02-25 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: XT

Setup Date: 2009-02-25 Date: 2009-09-13
Screen Date: 2009-03-25 Date: 2009-09-13
Screen Conditions: GNF2 E02: 10.0000% MPD, 0.1M MES pH 6.0 Date: 2009-04-12
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-12

Plate: 74339 (G0043045) Cell: E05 Date: 2009-02-25 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: XT

Setup Date: 2009-02-25 Date: 2009-09-13
Screen Date: 2009-03-25 Date: 2009-09-13
Screen Conditions: GNF2 E05: 5.0000% PEG-6000, 0.1M MES pH 6.0 Date: 2009-04-26
Crystal Classification: CRYSTAL HIT Date: 2009-04-26

Plate: 74339 (G0043045) Cell: F07 Date: 2009-02-25 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: XT

Setup Date: 2009-02-25 Date: 2009-09-13
Screen Date: 2009-03-25 Date: 2009-09-13
Screen Conditions: GNF2 F07: 10.0000% MPD, 0.1M Acetate pH 5.0 Date: 2009-04-18
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-18

Plate: 74340 (G0042646) Cell: H02 Date: 2009-02-25 Status: Success Previous Location: Plate: 74340 (G0042646) Cell: XT

Setup Date: 2009-02-25 Date: 2009-04-26
Screen Date: 2009-03-25 Date: 2009-04-26
Screen Conditions: GNF3 H02: 0.2000M CaCl2, 20.0000% iso-Propanol, 0.1M Acetate pH 4.6 Date: 2009-04-26
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-26

Plate: 74341 (G0042686) Cell: G01 Date: 2009-02-25 Status: Success Previous Location: Plate: 74341 (G0042686) Cell: XT

Setup Date: 2009-02-25 Date: 2009-04-12
Screen Date: 2009-03-11 Date: 2009-04-12
Screen Conditions: GNF4 G01: 35.0000% 2-propanol, 0.2000M Zn(OAc)2, 0.1M Imidazole pH 8.0 Date: 2009-04-12
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-12

Plate: 74341 (G0042686) Cell: G04 Date: 2009-02-25 Status: Success Previous Location: Plate: 74341 (G0042686) Cell: XT

Setup Date: 2009-02-25 Date: 2009-04-12
Screen Date: 2009-03-11 Date: 2009-04-12
Screen Conditions: GNF4 G04: 15.0000% Ethanol, 0.2000M Zn(OAc)2, 0.1M MES pH 6.0 Date: 2009-04-12
Crystal Classification: CRYSTAL HIT Date: 2009-04-12

STAGE: SDC Receiving

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L4 Date: 2009-03-17 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: E02

Shipment ID: 1993 Date: 2009-03-17

Cryo Conditions: 15.00% MPD Date: 2009-03-17
Crystal Comments: diamonds Date: 2009-03-17
Ship Date: 2009-03-17 Date: 2009-03-17
Crystal Id: 115495 Date: 2009-03-17
Pin Position: 2079 Date: 2009-03-17
Ship Position: SSRL 00191 Date: 2009-03-17
Mount Date: 2009-03-17 Date: 2009-03-17

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L5 Date: 2009-03-17 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: E02

Shipment ID: 1993 Date: 2009-03-17

Cryo Conditions: 15.00% MPD Date: 2009-03-17
Crystal Comments: diamonds Date: 2009-03-17
Ship Date: 2009-03-17 Date: 2009-03-17
Crystal Id: 115496 Date: 2009-03-17
Pin Position: 1457 Date: 2009-03-17
Ship Position: SSRL 00191 Date: 2009-03-17
Stop Flag: 0 Date: 2009-05-26
SDC Stage: 2900 Date: 2009-06-12
Mount Date: 2009-03-17 Date: 2009-03-17

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L6 Date: 2009-03-17 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: F07

Shipment ID: 1993 Date: 2009-03-17

Cryo Conditions: 10.00% MPD Date: 2009-03-17
Crystal Comments: diamonds Date: 2009-03-17
Ship Date: 2009-03-17 Date: 2009-03-17
Crystal Id: 115497 Date: 2009-03-17
Pin Position: 5 Date: 2009-03-17
Ship Position: SSRL 00191 Date: 2009-03-17
Mount Date: 2009-03-17 Date: 2009-03-17

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L7 Date: 2009-03-17 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: F07

Shipment ID: 1993 Date: 2009-03-17

Cryo Conditions: 10.00% MPD Date: 2009-03-17
Crystal Comments: diamonds Date: 2009-03-17
Ship Date: 2009-03-17 Date: 2009-03-17
Crystal Id: 115498 Date: 2009-03-17
Pin Position: 91 Date: 2009-03-17
Ship Position: SSRL 00191 Date: 2009-03-17
Mount Date: 2009-03-17 Date: 2009-03-17

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L8 Date: 2009-03-17 Status: Success Previous Location: Plate: 74339 (G0043045) Cell: F07

Shipment ID: 1993 Date: 2009-03-17

Cryo Conditions: 10.00% MPD Date: 2009-03-17
Crystal Comments: diamonds Date: 2009-03-17
Ship Date: 2009-03-17 Date: 2009-03-17
Crystal Id: 115499 Date: 2009-03-17
Pin Position: 2002 Date: 2009-03-17
Ship Position: SSRL 00191 Date: 2009-03-17
Mount Date: 2009-03-17 Date: 2009-03-17

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: E7 Date: 2009-03-19 Status: Success Previous Location: Plate: 74338 (G0043081) Cell: E11

Shipment ID: 1998 Date: 2009-03-19

Cryo Conditions: 10.00% MPD Date: 2009-03-19
Crystal Comments: squares Date: 2009-03-19
Ship Date: 2009-03-19 Date: 2009-03-19
Crystal Id: 115634 Date: 2009-03-19
Pin Position: 4922 Date: 2009-03-19
Ship Position: SSRL 00190 Date: 2009-03-19
Mount Date: 2009-03-18 Date: 2009-03-19

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: E8 Date: 2009-03-19 Status: Success Previous Location: Plate: 74338 (G0043081) Cell: E11

Shipment ID: 1998 Date: 2009-03-19

Cryo Conditions: 10.00% MPD Date: 2009-03-19
Crystal Comments: squares Date: 2009-03-19
Ship Date: 2009-03-19 Date: 2009-03-19
Crystal Id: 115635 Date: 2009-03-19
Pin Position: 2718 Date: 2009-03-19
Ship Position: SSRL 00190 Date: 2009-03-19
Mount Date: 2009-03-18 Date: 2009-03-19

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F1 Date: 2009-03-19 Status: Success Previous Location: Plate: 74338 (G0043081) Cell: F01

Shipment ID: 1998 Date: 2009-03-19

Cryo Conditions: 20.00% PEG-200 Date: 2009-03-19
Crystal Comments: rods Date: 2009-03-19
Ship Date: 2009-03-19 Date: 2009-03-19
Crystal Id: 115636 Date: 2009-03-19
Pin Position: 973 Date: 2009-03-19
Ship Position: SSRL 00190 Date: 2009-03-19
Mount Date: 2009-03-18 Date: 2009-03-19

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F2 Date: 2009-03-19 Status: Success Previous Location: Plate: 74338 (G0043081) Cell: F01

Shipment ID: 1998 Date: 2009-03-19

Cryo Conditions: 20.00% PEG-200 Date: 2009-03-19
Crystal Comments: rods Date: 2009-03-19
Ship Date: 2009-03-19 Date: 2009-03-19
Crystal Id: 115637 Date: 2009-03-19
Pin Position: 181 Date: 2009-03-19
Ship Position: SSRL 00190 Date: 2009-03-19
Mount Date: 2009-03-18 Date: 2009-03-19

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F3 Date: 2009-03-19 Status: Success Previous Location: Plate: 74341 (G0042686) Cell: G01

Shipment ID: 1998 Date: 2009-03-19

Crystal Comments: square Date: 2009-03-19
Ship Date: 2009-03-19 Date: 2009-03-19
Crystal Id: 115638 Date: 2009-03-19
Pin Position: 449 Date: 2009-03-19
Ship Position: SSRL 00190 Date: 2009-03-19
Mount Date: 2009-03-18 Date: 2009-03-19

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F4 Date: 2009-03-19 Status: Success Previous Location: Plate: 74341 (G0042686) Cell: G01

Shipment ID: 1998 Date: 2009-03-19

Crystal Comments: square Date: 2009-03-19
Ship Date: 2009-03-19 Date: 2009-03-19
Crystal Id: 115639 Date: 2009-03-19
Pin Position: 77 Date: 2009-03-19
Ship Position: SSRL 00190 Date: 2009-03-19
Mount Date: 2009-03-18 Date: 2009-03-19

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F5 Date: 2009-03-19 Status: Success Previous Location: Plate: 74341 (G0042686) Cell: G01

Shipment ID: 1998 Date: 2009-03-19

Crystal Comments: square Date: 2009-03-19
Ship Date: 2009-03-19 Date: 2009-03-19
Crystal Id: 115640 Date: 2009-03-19
Pin Position: 2607 Date: 2009-03-19
Ship Position: SSRL 00190 Date: 2009-03-19
Mount Date: 2009-03-18 Date: 2009-03-19

Dewar: 75729 (Leo-03/26/2009) Cassette: SSRL 00272 (SSRL 00272Leo-03/26/2009) Cell: D1 Date: 2009-03-26 Status: Success Previous Location: Plate: 74340 (G0042646) Cell: H02

Shipment ID: 2006 Date: 2009-03-26

Crystal Comments: rods Date: 2009-03-26
Ship Date: 2009-03-26 Date: 2009-03-26
Crystal Id: 117057 Date: 2009-03-26
Pin Position: 616 Date: 2009-03-26
Ship Position: SSRL 00272 Date: 2009-03-26
Mount Date: 2009-03-25 Date: 2009-03-26

Dewar: 75729 (Leo-03/26/2009) Cassette: SSRL 00272 (SSRL 00272Leo-03/26/2009) Cell: D2 Date: 2009-03-26 Status: Success Previous Location: Plate: 74340 (G0042646) Cell: H02

Shipment ID: 2006 Date: 2009-03-26

Crystal Comments: rods Date: 2009-03-26
Ship Date: 2009-03-26 Date: 2009-03-26
Crystal Id: 117058 Date: 2009-03-26
Pin Position: 514 Date: 2009-03-26
Ship Position: SSRL 00272 Date: 2009-03-26
Mount Date: 2009-03-25 Date: 2009-03-26

STAGE: Screening

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L4 Date: 2009-03-18 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090316/screening/cassette191/MH15503A Date: 2010-01-28
Xtal Quality: 8 Date: 2010-01-28
Ice Rings: 0 Date: 2010-01-28
Diffraction Quality: 1 Date: 2010-01-28
Single Xtal: 1 Date: 2010-01-28
Spot Shape: 8 Date: 2010-01-28
Maximum Resolution: 2.4 Date: 2010-01-28
Unit Cell Length: 47,101,130 Date: 2010-01-28
Unit Cell Angles: 90,90,90 Date: 2010-01-28
Beamline: SSRL BL1-5 Date: 2010-01-28
Space Group: C222 Date: 2010-01-28
Robot Y or N: 1 Date: 2010-01-28
Screen Date: 2009-03-18 Date: 2010-01-28
Freezing: CLEAR Date: 2010-01-28
Loop: OK Date: 2010-01-28
Crystal Condition: CND Date: 2010-01-28
Comments: crystal lost on 2009/07/20 Date: 2010-01-28

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L5 Date: 2009-03-18 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090316/screening/cassette191/MH15503A Date: 2010-01-28
Xtal Quality: 8 Date: 2010-01-28
Ice Rings: 8 Date: 2010-01-28
Diffraction Quality: 10 Date: 2010-01-28
Single Xtal: 1 Date: 2010-01-28
Spot Shape: 9 Date: 2010-01-28
Maximum Resolution: 2.1 Date: 2010-01-28
Unit Cell Length: 47,101,130 Date: 2010-01-28
Unit Cell Angles: 90,90,90 Date: 2010-01-28
Mosaicity: 0.7 Date: 2010-01-28
Beamline: SSRL BL1-5 Date: 2010-01-28
Space Group: C222 Date: 2010-01-28
Robot Y or N: 1 Date: 2010-01-28
Screen Date: 2009-03-18 Date: 2010-01-28
Freezing: CLEAR Date: 2010-01-28
Loop: OK Date: 2010-01-28
Crystal Condition: SINGLE Date: 2010-01-28
Comments: strong ice ring Date: 2010-01-28

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L6 Date: 2009-03-18 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090316/screening/cassette191/MH15503A Date: 2009-03-26
Xtal Quality: 6 Date: 2009-03-26
Ice Rings: 8 Date: 2009-03-26
Diffraction Quality: 1 Date: 2009-03-26
Single Xtal: 1 Date: 2009-03-26
Spot Shape: 8 Date: 2009-03-26
Maximum Resolution: 3.1 Date: 2009-03-26
Beamline: SSRL BL1-5 Date: 2009-03-26
Robot Y or N: 1 Date: 2009-03-26
Screen Date: 2009-03-18 Date: 2009-03-26
Freezing: CLEAR Date: 2009-03-26
Loop: OK Date: 2009-03-26
Crystal Condition: SINGLE Date: 2009-03-26

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L7 Date: 2009-03-18 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090316/screening/cassette191/MH15503A Date: 2010-01-28
Xtal Quality: 8 Date: 2010-01-28
Ice Rings: 8 Date: 2010-01-28
Diffraction Quality: 6 Date: 2010-01-28
Single Xtal: 1 Date: 2010-01-28
Spot Shape: 9 Date: 2010-01-28
Maximum Resolution: 2.3 Date: 2010-01-28
Unit Cell Length: 47,101,130 Date: 2010-01-28
Unit Cell Angles: 90,90,90 Date: 2010-01-28
Beamline: SSRL BL1-5 Date: 2010-01-28
Space Group: C222 Date: 2010-01-28
Robot Y or N: 1 Date: 2010-01-28
Screen Date: 2009-03-18 Date: 2010-01-28
Freezing: ICEBALL Date: 2010-01-28
Loop: OK Date: 2010-01-28
Crystal Condition: CND Date: 2010-01-28
Comments: strong ice ring Date: 2010-01-28

Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L8 Date: 2009-03-18 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090316/screening/cassette191/MH15503A Date: 2009-03-26
Xtal Quality: 6 Date: 2009-03-26
Ice Rings: 8 Date: 2009-03-26
Diffraction Quality: 1 Date: 2009-03-26
Single Xtal: 1 Date: 2009-03-26
Spot Shape: 8 Date: 2009-03-26
Maximum Resolution: 2.9 Date: 2009-03-26
Beamline: SSRL BL1-5 Date: 2009-03-26
Robot Y or N: 1 Date: 2009-03-26
Screen Date: 2009-03-18 Date: 2009-03-26
Freezing: ICEBALL Date: 2009-03-26
Loop: OK Date: 2009-03-26
Crystal Condition: CND Date: 2009-03-26

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: E7 Date: 2009-03-25 Status: Success

Image Directory: /data/jcsg/ssrl4/9_1/20090325/screening/cassette190/MH15503A Date: 2009-04-07
Xtal Quality: 4 Date: 2009-04-07
Ice Rings: 0 Date: 2009-04-07
Diffraction Quality: 1 Date: 2009-04-07
Single Xtal: 1 Date: 2009-04-07
Spot Shape: 9 Date: 2009-04-07
Maximum Resolution: 3.8 Date: 2009-04-07
Beamline: SSRL BL9-1 Date: 2009-04-07
Robot Y or N: 1 Date: 2009-04-07
Screen Date: 2009-03-25 Date: 2009-04-07
Freezing: CLEAR Date: 2009-04-07
Loop: OK Date: 2009-04-07
Crystal Condition: CND Date: 2009-04-07

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: E8 Date: 2009-03-25 Status: Success

Image Directory: /data/jcsg/ssrl4/9_1/20090325/screening/cassette190/MH15503A Date: 2009-11-23
Xtal Quality: 7 Date: 2009-11-23
Ice Rings: 0 Date: 2009-11-23
Diffraction Quality: 3 Date: 2009-11-23
Single Xtal: 1 Date: 2009-11-23
Spot Shape: 8 Date: 2009-11-23
Maximum Resolution: 2.8 Date: 2009-11-23
Beamline: SSRL BL9-1 Date: 2009-11-23
Robot Y or N: 1 Date: 2009-11-23
Screen Date: 2009-03-25 Date: 2009-11-23
Freezing: CLEAR Date: 2009-11-23
Loop: OK Date: 2009-11-23
Crystal Condition: CND Date: 2009-11-23

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F1 Date: 2009-03-25 Status: No Diffraction

Image Directory: /data/jcsg/ssrl4/9_1/20090325/screening/cassette190/MH15503A Date: 2009-04-07
Xtal Quality: 0 Date: 2009-04-07
Ice Rings: 0 Date: 2009-04-07
Diffraction Quality: 0 Date: 2009-04-07
Beamline: SSRL BL9-1 Date: 2009-04-07
Robot Y or N: 1 Date: 2009-04-07
Screen Date: 2009-03-25 Date: 2009-04-07
Freezing: CLEAR Date: 2009-04-07
Loop: OK Date: 2009-04-07
Crystal Condition: CND Date: 2009-04-07

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F2 Date: 2009-03-25 Status: No Diffraction

Image Directory: /data/jcsg/ssrl4/9_1/20090325/screening/cassette190/MH15503A Date: 2009-04-07
Xtal Quality: 0 Date: 2009-04-07
Ice Rings: 0 Date: 2009-04-07
Diffraction Quality: 0 Date: 2009-04-07
Beamline: SSRL BL9-1 Date: 2009-04-07
Robot Y or N: 1 Date: 2009-04-07
Screen Date: 2009-03-25 Date: 2009-04-07
Freezing: CLEAR Date: 2009-04-07
Loop: OK Date: 2009-04-07
Crystal Condition: CND Date: 2009-04-07

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F3 Date: 2009-03-25 Status: Success

Image Directory: /data/jcsg/ssrl4/9_1/20090325/screening/cassette190/MH15503A Date: 2009-04-07
Xtal Quality: 2 Date: 2009-04-07
Ice Rings: 8 Date: 2009-04-07
Diffraction Quality: 1 Date: 2009-04-07
Single Xtal: ? Date: 2009-04-07
Spot Shape: 6 Date: 2009-04-07
Maximum Resolution: 7 Date: 2009-04-07
Beamline: SSRL BL9-1 Date: 2009-04-07
Robot Y or N: 1 Date: 2009-04-07
Screen Date: 2009-03-25 Date: 2009-04-07
Loop: OK Date: 2009-04-07
Crystal Condition: CND Date: 2009-04-07

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F4 Date: 2009-03-25 Status: Success

Image Directory: /data/jcsg/ssrl4/9_1/20090325/screening/cassette190/MH15503A Date: 2009-04-07
Xtal Quality: 1 Date: 2009-04-07
Ice Rings: 8 Date: 2009-04-07
Diffraction Quality: 1 Date: 2009-04-07
Single Xtal: ? Date: 2009-04-07
Spot Shape: 7 Date: 2009-04-07
Maximum Resolution: 8 Date: 2009-04-07
Beamline: SSRL BL9-1 Date: 2009-04-07
Robot Y or N: 1 Date: 2009-04-07
Screen Date: 2009-03-25 Date: 2009-04-07
Loop: OK Date: 2009-04-07
Crystal Condition: CND Date: 2009-04-07

Dewar: 75422 (Venus-03/19/2009) Cassette: SSRL 00190 (SSRL 00190Venus-03/19/2009) Cell: F5 Date: 2009-03-25 Status: No Diffraction

Image Directory: /data/jcsg/ssrl4/9_1/20090325/screening/cassette190/MH15503A Date: 2009-04-07
Xtal Quality: 0 Date: 2009-04-07
Ice Rings: 8 Date: 2009-04-07
Diffraction Quality: 0 Date: 2009-04-07
Beamline: SSRL BL9-1 Date: 2009-04-07
Robot Y or N: 1 Date: 2009-04-07
Screen Date: 2009-03-25 Date: 2009-04-07
Loop: OK Date: 2009-04-07
Crystal Condition: CND Date: 2009-04-07

Dewar: 75729 (Leo-03/26/2009) Cassette: SSRL 00272 (SSRL 00272Leo-03/26/2009) Cell: D1 Date: 2009-03-27 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090326/screening/cassette272/MH15503A Date: 2009-04-09
Xtal Quality: 1 Date: 2009-04-09
Ice Rings: 8 Date: 2009-04-09
Diffraction Quality: 1 Date: 2009-04-09
Single Xtal: ? Date: 2009-04-09
Spot Shape: 6 Date: 2009-04-09
Maximum Resolution: 10 Date: 2009-04-09
Beamline: SSRL BL1-5 Date: 2009-04-09
Robot Y or N: 1 Date: 2009-04-09
Screen Date: 2009-03-27 Date: 2009-04-09
Freezing: ICEBALL Date: 2009-04-09
Loop: OK Date: 2009-04-09
Crystal Condition: CND Date: 2009-04-09

Dewar: 75729 (Leo-03/26/2009) Cassette: SSRL 00272 (SSRL 00272Leo-03/26/2009) Cell: D2 Date: 2009-03-27 Status: No Diffraction

Image Directory: /data/jcsg/ssrl4/1_5/20090326/screening/cassette272/MH15503A Date: 2009-04-09
Xtal Quality: 0 Date: 2009-04-09
Beamline: SSRL BL1-5 Date: 2009-04-09
Robot Y or N: 1 Date: 2009-04-09
Screen Date: 2009-03-27 Date: 2009-04-09
Comments: robot found portjam Date: 2009-04-09

STAGE: Data Collection

Collection: 75970 Cell: 1 Date: 2009-03-27 Status: Success Previous Location: Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L5

CollectData.xml: CollectData.xml Date: 2009-03-31
Beamline.xml: beamline.xml Date: 2009-03-31
Notes file: notes.txt Date: 2009-03-31
Beamline: BL11-1 Date: 2009-03-31
ExperimentType: X-Ray Date: 2009-03-31
Program name: Blu-Ice Date: 2009-03-31
Program version: 4.0 Date: 2009-03-31
Synchrotron: SSRL Date: 2009-03-31
Detector name: MAR325 Date: 2009-03-31
Detector type: CCD Date: 2009-03-31
Detector serial: 20 Date: 2009-03-31
Detector manufacturer: MAR Date: 2009-03-31
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL11-1.html Date: 2009-03-31
MOSFLM_DETECTOR_PARAMETERS: !commented out due to use of new mosflm !DETECTOR ROTATION HORIZ ANTI FAST HORIZONTAL ORIGIN UR rectangular TYPE MARCCD !SIZE 4096 4096 HEADER 1 byte 4096 !LIMITS XMIN 0 XMAX 162.5 YMIN 0 YMAX 162.5 xscan 2048 yscan 2048 GAIN 0.31 Date: 2009-03-31
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2009-03-31
DC Date: 2009-03-27 Date: 2009-03-31
Performed By: Qingping Xu Date: 2009-03-31
Temperature (K): 100 Date: 2009-03-31
Beamline: BL11-1 Date: 2009-03-31
ImageDirectory: /data/jcsg/ssrl4/11_1/20090326/collection/MH15503A/115496/ Date: 2009-03-31
Description: l1s1 Date: 2009-03-31
Wavelength: 0.97910 Date: 2009-03-31
Anomalous fprimv: -7. Date: 2009-03-31
Anomalous fprprv: 4.9 Date: 2009-03-31
DetectorMode: undefined Date: 2009-03-31
Distance: 275.00 Date: 2009-03-31
BeamCenter X: 162.5 Date: 2009-03-31
BeamCenter Y: 162.5 Date: 2009-03-31
ImagePrefix: 115496_1_E1 Date: 2009-03-31
ImageSuffix: mccd Date: 2009-03-31
PhiDelta: 1.00 Date: 2009-03-31
PhiStart: 150.00 Date: 2009-03-31
FrameNumber start: 1 Date: 2009-03-31
FrameNumber end: 90 Date: 2009-03-31

Collection: 75970 Cell: 2 Date: 2009-03-27 Status: Success Previous Location: Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L5

CollectData.xml: CollectData.xml Date: 2009-03-31
Beamline.xml: beamline.xml Date: 2009-03-31
Notes file: notes.txt Date: 2009-03-31
Beamline: BL11-1 Date: 2009-03-31
ExperimentType: X-Ray Date: 2009-03-31
Program name: Blu-Ice Date: 2009-03-31
Program version: 4.0 Date: 2009-03-31
Synchrotron: SSRL Date: 2009-03-31
Detector name: MAR325 Date: 2009-03-31
Detector type: CCD Date: 2009-03-31
Detector serial: 20 Date: 2009-03-31
Detector manufacturer: MAR Date: 2009-03-31
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL11-1.html Date: 2009-03-31
MOSFLM_DETECTOR_PARAMETERS: !commented out due to use of new mosflm !DETECTOR ROTATION HORIZ ANTI FAST HORIZONTAL ORIGIN UR rectangular TYPE MARCCD !SIZE 4096 4096 HEADER 1 byte 4096 !LIMITS XMIN 0 XMAX 162.5 YMIN 0 YMAX 162.5 xscan 2048 yscan 2048 GAIN 0.31 Date: 2009-03-31
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2009-03-31
DC Date: 2009-03-27 Date: 2009-03-31
Performed By: Qingping Xu Date: 2009-03-31
Temperature (K): 100 Date: 2009-03-31
Beamline: BL11-1 Date: 2009-03-31
ImageDirectory: /data/jcsg/ssrl4/11_1/20090326/collection/MH15503A/115496/ Date: 2009-03-31
Description: l2s1 Date: 2009-03-31
Wavelength: 0.91837 Date: 2009-03-31
Anomalous fprimv: -1.8 Date: 2009-03-31
Anomalous fprprv: 3.4 Date: 2009-03-31
DetectorMode: undefined Date: 2009-03-31
Distance: 275.00 Date: 2009-03-31
BeamCenter X: 162.5 Date: 2009-03-31
BeamCenter Y: 162.5 Date: 2009-03-31
ImagePrefix: 115496_1_E2 Date: 2009-03-31
ImageSuffix: mccd Date: 2009-03-31
PhiDelta: 1.00 Date: 2009-03-31
PhiStart: 150.00 Date: 2009-03-31
FrameNumber start: 1 Date: 2009-03-31
FrameNumber end: 90 Date: 2009-03-31

Collection: 75970 Cell: 3 Date: 2009-03-27 Status: Success Previous Location: Dewar: 75303 (Amber-03/17/2009) Cassette: SSRL 00191 (SSRL 00191Amber-03/17/2009) Cell: L5

CollectData.xml: CollectData.xml Date: 2009-03-31
Beamline.xml: beamline.xml Date: 2009-03-31
Notes file: notes.txt Date: 2009-03-31
Beamline: BL11-1 Date: 2009-03-31
ExperimentType: X-Ray Date: 2009-03-31
Program name: Blu-Ice Date: 2009-03-31
Program version: 4.0 Date: 2009-03-31
Synchrotron: SSRL Date: 2009-03-31
Detector name: MAR325 Date: 2009-03-31
Detector type: CCD Date: 2009-03-31
Detector serial: 20 Date: 2009-03-31
Detector manufacturer: MAR Date: 2009-03-31
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL11-1.html Date: 2009-03-31
MOSFLM_DETECTOR_PARAMETERS: !commented out due to use of new mosflm !DETECTOR ROTATION HORIZ ANTI FAST HORIZONTAL ORIGIN UR rectangular TYPE MARCCD !SIZE 4096 4096 HEADER 1 byte 4096 !LIMITS XMIN 0 XMAX 162.5 YMIN 0 YMAX 162.5 xscan 2048 yscan 2048 GAIN 0.31 Date: 2009-03-31
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2009-03-31
DC Date: 2009-03-27 Date: 2009-03-31
Performed By: Qingping Xu Date: 2009-03-31
Temperature (K): 100 Date: 2009-03-31
Beamline: BL11-1 Date: 2009-03-31
ImageDirectory: /data/jcsg/ssrl4/11_1/20090326/collection/MH15503A/115496/ Date: 2009-03-31
Description: l2s2 Date: 2009-03-31
Wavelength: 0.91837 Date: 2009-03-31
Anomalous fprimv: -1.8 Date: 2009-03-31
Anomalous fprprv: 3.4 Date: 2009-03-31
DetectorMode: undefined Date: 2009-03-31
Distance: 350.13 Date: 2009-03-31
BeamCenter X: 162.5 Date: 2009-03-31
BeamCenter Y: 162.5 Date: 2009-03-31
ImagePrefix: 115496_2 Date: 2009-03-31
ImageSuffix: mccd Date: 2009-03-31
PhiDelta: 1.00 Date: 2009-03-31
PhiStart: 150.00 Date: 2009-03-31
FrameNumber start: 1 Date: 2009-03-31
FrameNumber end: 90 Date: 2009-03-31

STAGE: Integration

Collection: 75972 Cell: 1 Date: 2009-03-31 Status: Success Previous Location: Collection: 75970 Cell: 1

Integration Log File: integrate.log Date: 2009-03-31
Integration Reflection File: integrate.mtz Date: 2009-03-31
Integration Name: l1s Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Integration Program: MOSFLM Date: 2009-03-31
Program Version: 7.0.1 Date: 2009-03-31
Integration Date: 2009-03-31 Date: 2009-03-31

Collection: 75972 Cell: 2 Date: 2009-03-31 Status: Success Previous Location: Collection: 75970 Cell: 2

Integration Log File: integrate.log Date: 2009-03-31
Integration Reflection File: integrate.mtz Date: 2009-03-31
Integration Name: l2s1i Date: 2009-03-31
Integration Comments: xsolve mosflm Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Integration Program: MOSFLM Date: 2009-03-31
Program Version: 7.0.1 Date: 2009-03-31
Integration Date: 2009-03-31 Date: 2009-03-31

Collection: 75972 Cell: 3 Date: 2009-03-31 Status: Success Previous Location: Collection: 75970 Cell: 3

Integration Log File: integrate.log Date: 2009-03-31
Integration Reflection File: integrate.mtz Date: 2009-03-31
Integration Name: l2s2i Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Integration Program: MOSFLM Date: 2009-03-31
Program Version: 7.0.1 Date: 2009-03-31
Integration Date: 2009-03-31 Date: 2009-03-31

Collection: 75972 Cell: 4 Date: 2009-05-13 Status: Success Previous Location: Collection: 75970 Cell: 2

Integration Log File: integrate_l2s1.log Date: 2009-05-13
Integration Reflection File: integrate_l2s1.mtz Date: 2009-05-13
Integration Name: l2s1_deice Date: 2009-05-13
Integration Comments: Ice rings removed by Mosflm: EXCLUDE 3.62 3.72 EXCLUDE 2.21 2.33 Date: 2009-05-13
Performed By: 2793 Date: 2009-05-13
Integration Program: MOSFLM Date: 2009-05-13
Program Version: 7.0.3 Date: 2009-05-13
Integration Date: 2009-05-13 Date: 2009-05-13

Collection: 75972 Cell: 5 Date: 2009-05-13 Status: Success Previous Location: Collection: 75970 Cell: 3

Integration Log File: integrate_l2s2.log Date: 2009-05-13
Integration Reflection File: integrate_l2s2.mtz Date: 2009-05-13
Integration Name: l2s2_deice Date: 2009-05-13
Integration Comments: Ice rings removed by Mosflm: EXCLUDE 3.62 3.72 EXCLUDE 2.21 2.33 Date: 2009-05-13
Performed By: 2793 Date: 2009-05-13
Integration Program: MOSFLM Date: 2009-05-13
Program Version: 7.0.3 Date: 2009-05-13
Integration Date: 2009-05-13 Date: 2009-05-13

STAGE: Scaling

Collection: 75973 Cell: 1 Date: 2009-03-31 Status: Success Previous Location: Collection: 75972 Cell: 1

Scale Log File: scale.log Date: 2009-03-31
Scale Reflection File: scale.mtz Date: 2009-03-31
Scale Name: l1s Date: 2009-03-31
Scale Comments: note heavy ice rings Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Scaling program: SCALA Date: 2009-03-31
Program Version: 3.2.5 Date: 2009-03-31
Space group: C222 Date: 2009-03-31
Cell A: 46.7326 Date: 2009-03-31
Cell B: 101.4069 Date: 2009-03-31
Cell C: 131.4615 Date: 2009-03-31
Angle Alpha: 90.0000 Date: 2009-03-31
Angle Beta: 90.0000 Date: 2009-03-31
Angle Gamma: 90.0000 Date: 2009-03-31
High resolution overall: 1.95 Date: 2009-03-31
Low resolution overall: 50.00 Date: 2009-03-31
Completeness overall: 99.2 Date: 2009-03-31
Redundancy overall: 3.5 Date: 2009-03-31
Rsym(I) overall: 0.069 Date: 2009-03-31
I/sigma(I) overall: 12.4 Date: 2009-03-31
High resolution limit for highest resolution shell: 1.95 Date: 2009-03-31
Low resolution limit for highest resolution shell: 2.00 Date: 2009-03-31
Completeness shell: 100.0 Date: 2009-03-31
Redundancy shell: 3.6 Date: 2009-03-31
Rsym(I) shell: 0.512 Date: 2009-03-31
I/sigma(I) shell: 2.0 Date: 2009-03-31
Observed reflections overall: 81904 Date: 2009-03-31
Unmerged HKL File: nomerge.sca Date: 2009-03-31
Scaling Date: 2009-03-31 Date: 2009-03-31
Number of reflections: 81904 Date: 2009-03-31

Collection: 75973 Cell: 2 Date: 2009-03-31 Status: Success Previous Location: Collection: 75972 Cell: 2 Collection: 75972 Cell: 3

Scale Log File: scale.log Date: 2009-03-31
Scale Reflection File: scale.mtz Date: 2009-03-31
Scale Name: l2s Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Scaling program: SCALA Date: 2009-03-31
Program Version: 3.2.5 Date: 2009-03-31
Space group: C222 Date: 2009-03-31
Cell A: 46.7307 Date: 2009-03-31
Cell B: 101.4453 Date: 2009-03-31
Cell C: 131.4637 Date: 2009-03-31
Angle Alpha: 90.0000 Date: 2009-03-31
Angle Beta: 90.0000 Date: 2009-03-31
Angle Gamma: 90.0000 Date: 2009-03-31
High resolution overall: 1.95 Date: 2009-03-31
Low resolution overall: 50.00 Date: 2009-03-31
Completeness overall: 99.6 Date: 2009-03-31
Redundancy overall: 6.5 Date: 2009-03-31
Rsym(I) overall: 0.077 Date: 2009-03-31
I/sigma(I) overall: 16.7 Date: 2009-03-31
High resolution limit for highest resolution shell: 1.95 Date: 2009-03-31
Low resolution limit for highest resolution shell: 2.00 Date: 2009-03-31
Completeness shell: 99.5 Date: 2009-03-31
Redundancy shell: 3.6 Date: 2009-03-31
Rsym(I) shell: 0.458 Date: 2009-03-31
I/sigma(I) shell: 2.3 Date: 2009-03-31
Observed reflections overall: 150819 Date: 2009-03-31
Unmerged HKL File: nomerge.sca Date: 2009-03-31
Scaling Date: 2009-03-31 Date: 2009-03-31
Number of reflections: 150819 Date: 2009-03-31

Collection: 75973 Cell: 3 Date: 2009-05-13 Status: Success Previous Location: Collection: 75972 Cell: 4 Collection: 75972 Cell: 5

Scale Log File: l2_scale.log Date: 2009-05-13
Scale Reflection File: l2_scale.mtz Date: 2009-05-13
Scale Name: l2_deice Date: 2009-05-13
Scale Comments: Ice rings removed Date: 2009-05-13
Performed By: 2793 Date: 2009-05-13
Scaling program: SCALA Date: 2009-05-13
Program Version: 3.2.25 Date: 2009-05-13
Space group: C2221 Date: 2009-05-13
Cell A: 46.7160 Date: 2009-05-13
Cell B: 101.3935 Date: 2009-05-13
Cell C: 131.4651 Date: 2009-05-13
Angle Alpha: 90.0000 Date: 2009-05-13
Angle Beta: 90.0000 Date: 2009-05-13
Angle Gamma: 90.0000 Date: 2009-05-13
High resolution overall: 1.95 Date: 2009-05-13
Low resolution overall: 65.79 Date: 2009-05-13
Completeness overall: 88.7 Date: 2009-05-13
Redundancy overall: 6.9 Date: 2009-05-13
Rsym(I) overall: 0.062 Date: 2009-05-13
I/sigma(I) overall: 18.1 Date: 2009-05-13
High resolution limit for highest resolution shell: 1.95 Date: 2009-05-13
Low resolution limit for highest resolution shell: 2.06 Date: 2009-05-13
Completeness shell: 100.0 Date: 2009-05-13
Redundancy shell: 5.7 Date: 2009-05-13
Rsym(I) shell: 0.652 Date: 2009-05-13
I/sigma(I) shell: 3.1 Date: 2009-05-13
Observed reflections overall: 142865 Date: 2009-05-13
Unmerged HKL File: l2_nomerge.sca Date: 2009-05-13
Scaling Date: 2009-05-13 Date: 2009-05-13
Number of reflections: 142865 Date: 2009-05-13

STAGE: Truncating

Collection: 75974 Cell: 1 Date: 2009-03-31 Status: Success Previous Location: Collection: 75973 Cell: 1

Truncate Name: l1t Date: 2009-03-31
Truncate Comments: nmol=1 c2221 Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Truncate Log File: truncate.log Date: 2009-03-31
Truncate Reflection File: truncate.mtz Date: 2009-03-31
truncate program version: 5.0 Date: 2009-03-31
Unique reflections overall: 184520 Date: 2009-03-31
Wilson_Bfact: 31.551 Date: 2009-03-31
Truncate Date: 2009-03-31 Date: 2009-03-31
Cell A: 46.7326 Date: 2009-03-31
Cell B: 101.4069 Date: 2009-03-31
Cell C: 131.4615 Date: 2009-03-31
Angle Alpha: 90.0000 Date: 2009-03-31
Angle Beta: 90.0000 Date: 2009-03-31
Angle Gamma: 90.0000 Date: 2009-03-31
Unique Reflections: 23072 Date: 2009-03-31
Resolution Range Low: 27.576 Date: 2009-03-31
Resolution Range High: 1.950 Date: 2009-03-31

Collection: 75974 Cell: 2 Date: 2009-03-31 Status: Success Previous Location: Collection: 75973 Cell: 2

Truncate Name: l2t Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Truncate Log File: truncate.log Date: 2009-03-31
Truncate Reflection File: truncate.mtz Date: 2009-03-31
truncate program version: 5.0 Date: 2009-03-31
Unique reflections overall: 185000 Date: 2009-03-31
Wilson_Bfact: 31.089 Date: 2009-03-31
Truncate Date: 2009-03-31 Date: 2009-03-31
Cell A: 46.7307 Date: 2009-03-31
Cell B: 101.4453 Date: 2009-03-31
Cell C: 131.4637 Date: 2009-03-31
Angle Alpha: 90.0000 Date: 2009-03-31
Angle Beta: 90.0000 Date: 2009-03-31
Angle Gamma: 90.0000 Date: 2009-03-31
Unique Reflections: 23180 Date: 2009-03-31
Resolution Range Low: 27.587 Date: 2009-03-31
Resolution Range High: 1.950 Date: 2009-03-31

Collection: 75974 Cell: 3 Date: 2009-05-13 Status: Success Previous Location: Collection: 75973 Cell: 3

Truncate Name: l2_deice Date: 2009-05-13
Truncate Comments: Ice rings removed Date: 2009-05-13
Performed By: 2793 Date: 2009-05-13
Truncate Log File: l2_truncate.log Date: 2009-05-13
Truncate Reflection File: l2_truncate.mtz Date: 2009-05-13
truncate program version: 6.0 Date: 2009-05-13
Unique reflections overall: 164392 Date: 2009-05-13
Wilson_Bfact: 32.679 Date: 2009-05-13
Truncate Date: 2009-05-13 Date: 2009-05-13
Cell A: 46.7160 Date: 2009-05-13
Cell B: 101.3935 Date: 2009-05-13
Cell C: 131.4651 Date: 2009-05-13
Angle Alpha: 90.0000 Date: 2009-05-13
Angle Beta: 90.0000 Date: 2009-05-13
Angle Gamma: 90.0000 Date: 2009-05-13
Unique Reflections: 20638 Date: 2009-05-13
Resolution Range Low: 65.795 Date: 2009-05-13
Resolution Range High: 1.950 Date: 2009-05-13

STAGE: Phasing

Collection: 75975 Cell: 1 Date: 2009-03-31 Status: Success Previous Location: Collection: 75974 Cell: 1 Collection: 75974 Cell: 2

Name of phasing run: shelx-sharp Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Phasing reflection file: eden-unique.mtz Date: 2009-03-31
Phasing PRT log: ha.pdb Date: 2009-03-31
Phasing log file: sharp_log.mmcif Date: 2009-03-31
Solution Type: MAD Date: 2009-03-31
Reference Wavelength: 0.97910 Date: 2009-03-31
Phasing Date: 2009-03-31 Date: 2009-03-31

STAGE: Density Modification

Collection: 75976 Cell: 1 Date: 2009-03-31 Status: Success Previous Location: Collection: 75974 Cell: 1 Collection: 75975 Cell: 1

Name of DM run: solomon Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
DM reflection file: solomon.mtz Date: 2009-03-31
DM log file: solomon_log.html Date: 2009-03-31
DM Date: 2009-03-31 Date: 2009-03-31

STAGE: Tracing

Collection: 75977 Cell: 1 Date: 2009-03-31 Status: Solved Structure Previous Location: Collection: 75974 Cell: 1 Collection: 75976 Cell: 1 Collection: 75975 Cell: 1

Name of tracing run: warp Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Tracing Comments: may need to address ice rings if used in refinement 234/309 traced/docked Date: 2009-03-31
Tracing log file: 2009083935_warp_log.html Date: 2009-03-31
Tracing reflection file: 2009083935_warpNtrace.mtz Date: 2009-03-31
Tracing PDB: 2009083935_warpNtrace.pdb Date: 2009-03-31
Tracing Date: 2009-03-31 Date: 2009-03-31

Collection: 75977 Cell: 2 Date: 2009-03-31 Status: Solved Structure Previous Location: Collection: 75974 Cell: 1 Collection: 75976 Cell: 1 Collection: 75975 Cell: 1

Name of tracing run: resolve-iterative Date: 2009-03-31
Performed By: 79 Date: 2009-03-31
Tracing Comments: 256/309 traced/docked Date: 2009-03-31
Tracing program: RESOLVE Date: 2009-03-31
Tracing log file: resolve_best.log Date: 2009-03-31
Tracing reflection file: resolve_best.mtz Date: 2009-03-31
Tracing PDB: resolve_best.pdb Date: 2009-03-31
Tracing Program Version: 2.03 Date: 2009-03-31
Tracing Date: 2009-03-31 Date: 2009-03-31

STAGE: Refining

Collection: 77872 Cell: 1 Date: 2009-05-13 Status: Success Previous Location: Collection: 75977 Cell: 2 Collection: 75974 Cell: 3 Collection: 75976 Cell: 1 Collection: 75975 Cell: 1

Name of refinement run: ref1 Date: 2009-05-13
Performed By: 2793 Date: 2009-05-13
Refinement Comments: refined against reprocessed data that had ice rings removed Date: 2009-05-13
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD Date: 2009-05-13
RESOLUTION RANGE HIGH:: 1.95 Date: 2009-05-13
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2009-05-13
COMPLETENESS (WORKING+TEST) (%) :: 88.38 Date: 2009-05-13
NUMBER OF REFLECTIONS :: 19468 Date: 2009-05-13
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2009-05-13
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2009-05-13
R VALUE (WORKING SET) :: 0.19873 Date: 2009-05-13
FREE R VALUE :: 0.24234 Date: 2009-05-13
FREE R VALUE TEST SET SIZE (%) :: 5.1 Date: 2009-05-13
FREE R VALUE TEST SET COUNT :: 1051 Date: 2009-05-13
TOTAL NUMBER OF BINS USED :: 20 Date: 2009-05-13
BIN RESOLUTION RANGE HIGH (A) :: 1.950 Date: 2009-05-13
BIN RESOLUTION RANGE LOW (A) :: 2.001 Date: 2009-05-13
REFLECTIONS IN BIN (WORKING SET) :: 1568 Date: 2009-05-13
BIN R VALUE (WORKING SET) :: 0.288 Date: 2009-05-13
BIN FREE R VALUE :: 0.310 Date: 2009-05-13
BIN FREE R VALUE TEST SET COUNT :: 84 Date: 2009-05-13
MEAN B VALUE (OVERALL, A**2) :: 26.833 Date: 2009-05-13
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: 4.19 Date: 2009-05-13
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: -2.10 Date: 2009-05-13
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -2.09 Date: 2009-05-13
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2009-05-13
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2009-05-13
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2009-05-13
SPACE GROUP: C2221 Date: 2009-05-13
MAIN-CHAIN ANGLE RMS (A**2) :: 1.754 Date: 2009-05-13
BOND LENGTHS RMS DEVIATIONS (A) :: 0.017 Date: 2009-05-13
Refinement Log: submitted1.log Date: 2009-05-13
Reflection File: submitted1.mtz Date: 2009-05-13
PDB file: submitted1.pdb Date: 2009-05-13
Program: REFMAC Date: 2009-05-13
Version: 5.5.0053 Date: 2009-05-13
Cell A: 46.716 Date: 2009-05-13
Cell B: 101.394 Date: 2009-05-13
Cell C: 131.465 Date: 2009-05-13
Angle Alpha: 90.00 Date: 2009-05-13
Angle Beta: 90.00 Date: 2009-05-13
Angle Gamma: 90.00 Date: 2009-05-13
ALL ATOMS: 2289 Date: 2009-05-13
ESU BASED ON R VALUE: 0.194 Date: 2009-05-13
ESU BASED ON FREE R VALUE: 0.172 Date: 2009-05-13
ESU BASED ON MAXIMUM LIKELIHOOD: 0.128 Date: 2009-05-13
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 10.446 Date: 2009-05-13
CORRELATION COEFFICIENT FO-FC: 0.957 Date: 2009-05-13
CORRELATION COEFFICIENT FO-FC FREE: 0.940 Date: 2009-05-13
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 2202 Date: 2009-05-13
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2009-05-13
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.950 Date: 2009-05-13
CHIRAL-CENTER RESTRAINTS RMS: 0.099 Date: 2009-05-13
TORSION ANGLES, PERIOD COUNT: 287::99::347::15 Date: 2009-05-13
TORSION ANGLES, PERIOD RMS: 3.845::31.434::11.210::13.263 Date: 2009-05-13
TORSION ANGLES, PERIOD WEIGHT: 5.000::23.939::15.000::15.000 Date: 2009-05-13
CHIRAL-CENTER RESTRAINTS COUNT: 340 Date: 2009-05-13
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2009-05-13
GENERAL PLANES REFINED ATOMS COUNT: 2499 Date: 2009-05-13
GENERAL PLANES REFINED ATOMS RMS: 0.008 Date: 2009-05-13
GENERAL PLANES REFINED ATOMS WEIGHT: 0.021 Date: 2009-05-13
MAIN-CHAIN BOND REFINED ATOMS COUNT: 1402 Date: 2009-05-13
MAIN-CHAIN BOND REFINED ATOMS RMS: 1.238 Date: 2009-05-13
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 2.000 Date: 2009-05-13
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 2249 Date: 2009-05-13
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 2.413 Date: 2009-05-13
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 4.000 Date: 2009-05-13
SIDE-CHAIN BOND REFINED ATOMS COUNT: 800 Date: 2009-05-13
SIDE-CHAIN BOND REFINED ATOMS RMS: 4.141 Date: 2009-05-13
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 6.000 Date: 2009-05-13
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 749 Date: 2009-05-13
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 5.988 Date: 2009-05-13
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 8.000 Date: 2009-05-13
METHOD USED: BABINET MODEL WITH MASK Date: 2009-05-13
VDW PROBE RADIUS: 1.40 Date: 2009-05-13
ION PROBE RADIUS: 0.80 Date: 2009-05-13
SHRINKAGE RADIUS: 0.80 Date: 2009-05-13
Refinement Date : 2009-05-13 Date: 2009-05-13
Refinement Technical Note: qc_check1.html Date: 2009-05-13
Structure Refinement Summary: refine_summary1.txt Date: 2009-05-13
Matthews Coef: 2.30 Date: 2009-06-21
Solvent Percentage: 46.50 Date: 2009-06-21

Collection: 77872 Cell: 2 Date: 2009-05-26 Status: Success Previous Location: Collection: 75977 Cell: 2 Collection: 75974 Cell: 3 Collection: 75976 Cell: 1 Collection: 75975 Cell: 1 Collection: 77872 Cell: 1

Name of refinement run: ref2 Date: 2009-05-26
Performed By: 2793 Date: 2009-05-26
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD Date: 2009-05-26
RESOLUTION RANGE HIGH:: 1.95 Date: 2009-05-26
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2009-05-26
COMPLETENESS (WORKING+TEST) (%) :: 88.38 Date: 2009-05-26
NUMBER OF REFLECTIONS :: 19468 Date: 2009-05-26
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2009-05-26
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2009-05-26
R VALUE (WORKING SET) :: 0.19670 Date: 2009-05-26
FREE R VALUE :: 0.24104 Date: 2009-05-26
FREE R VALUE TEST SET SIZE (%) :: 5.1 Date: 2009-05-26
FREE R VALUE TEST SET COUNT :: 1051 Date: 2009-05-26
TOTAL NUMBER OF BINS USED :: 20 Date: 2009-05-26
BIN RESOLUTION RANGE HIGH (A) :: 1.950 Date: 2009-05-26
BIN RESOLUTION RANGE LOW (A) :: 2.001 Date: 2009-05-26
REFLECTIONS IN BIN (WORKING SET) :: 1568 Date: 2009-05-26
BIN R VALUE (WORKING SET) :: 0.283 Date: 2009-05-26
BIN FREE R VALUE :: 0.313 Date: 2009-05-26
BIN FREE R VALUE TEST SET COUNT :: 84 Date: 2009-05-26
MEAN B VALUE (OVERALL, A**2) :: 28.112 Date: 2009-05-26
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: 4.24 Date: 2009-05-26
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: -2.32 Date: 2009-05-26
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -1.91 Date: 2009-05-26
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2009-05-26
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2009-05-26
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2009-05-26
SPACE GROUP: C2221 Date: 2009-05-26
MAIN-CHAIN ANGLE RMS (A**2) :: 1.778 Date: 2009-05-26
BOND LENGTHS RMS DEVIATIONS (A) :: 0.017 Date: 2009-05-26
Refinement Log: submitted2.log Date: 2009-05-26
Reflection File: submitted2.mtz Date: 2009-05-26
PDB file: submitted2.pdb Date: 2009-05-26
Program: REFMAC Date: 2009-05-26
Version: 5.5.0053 Date: 2009-05-26
Cell A: 46.716 Date: 2009-05-26
Cell B: 101.394 Date: 2009-05-26
Cell C: 131.465 Date: 2009-05-26
Angle Alpha: 90.00 Date: 2009-05-26
Angle Beta: 90.00 Date: 2009-05-26
Angle Gamma: 90.00 Date: 2009-05-26
ALL ATOMS: 2300 Date: 2009-05-26
ESU BASED ON R VALUE: 0.193 Date: 2009-05-26
ESU BASED ON FREE R VALUE: 0.171 Date: 2009-05-26
ESU BASED ON MAXIMUM LIKELIHOOD: 0.129 Date: 2009-05-26
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 10.460 Date: 2009-05-26
CORRELATION COEFFICIENT FO-FC: 0.958 Date: 2009-05-26
CORRELATION COEFFICIENT FO-FC FREE: 0.941 Date: 2009-05-26
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 2215 Date: 2009-05-26
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2009-05-26
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.951 Date: 2009-05-26
CHIRAL-CENTER RESTRAINTS RMS: 0.098 Date: 2009-05-26
TORSION ANGLES, PERIOD COUNT: 291::100::352::15 Date: 2009-05-26
TORSION ANGLES, PERIOD RMS: 3.942::30.633::11.261::13.437 Date: 2009-05-26
TORSION ANGLES, PERIOD WEIGHT: 5.000::24.000::15.000::15.000 Date: 2009-05-26
CHIRAL-CENTER RESTRAINTS COUNT: 342 Date: 2009-05-26
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2009-05-26
GENERAL PLANES REFINED ATOMS COUNT: 2517 Date: 2009-05-26
GENERAL PLANES REFINED ATOMS RMS: 0.007 Date: 2009-05-26
GENERAL PLANES REFINED ATOMS WEIGHT: 0.021 Date: 2009-05-26
MAIN-CHAIN BOND REFINED ATOMS COUNT: 1408 Date: 2009-05-26
MAIN-CHAIN BOND REFINED ATOMS RMS: 1.201 Date: 2009-05-26
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 2.000 Date: 2009-05-26
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 2261 Date: 2009-05-26
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 2.317 Date: 2009-05-26
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 4.000 Date: 2009-05-26
SIDE-CHAIN BOND REFINED ATOMS COUNT: 807 Date: 2009-05-26
SIDE-CHAIN BOND REFINED ATOMS RMS: 3.995 Date: 2009-05-26
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 6.000 Date: 2009-05-26
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 755 Date: 2009-05-26
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 5.741 Date: 2009-05-26
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 8.000 Date: 2009-05-26
METHOD USED: BABINET MODEL WITH MASK Date: 2009-05-26
VDW PROBE RADIUS: 1.40 Date: 2009-05-26
ION PROBE RADIUS: 0.80 Date: 2009-05-26
SHRINKAGE RADIUS: 0.80 Date: 2009-05-26
Refinement Date : 2009-05-26 Date: 2009-05-26
Refinement Technical Note: qc_check2.html Date: 2009-05-26
Structure Refinement Summary: refine_summary2.txt Date: 2009-05-26
Matthews Coef: 2.30 Date: 2010-03-14
Solvent Percentage: 46.50 Date: 2010-03-14

STAGE: QC

Collection: 78441 Cell: 1 Date: 2009-05-26 Status: QC Return Previous Location: Collection: 77872 Cell: 1

Performed By: 79 Date: 2009-05-26
QC Log: Y--3-qc.txt Date: 2009-05-26
QC Date: 2009-05-26 Date: 2009-05-26
QC Set Name: qc1 Date: 2009-05-26

Collection: 78441 Cell: 2 Date: 2009-05-26 Status: Success Previous Location: Collection: 77872 Cell: 2

Performed By: 79 Date: 2009-05-26
QC Date: 2009-05-26 Date: 2009-05-26
QC Set Name: qc2 Date: 2009-05-26

STAGE: Validation

Collection: 78460 Cell: 1 Date: 2009-06-12 Status: Success Previous Location: Collection: 78441 Cell: 2

STAGE: PDB Deposition

Collection: 79246 Cell: 1 Date: 2009-06-12 Status: Success Previous Location: Collection: 78460 Cell: 1

PDB ID: 3htv Date: 2009-06-12
RCSB ID: rcsb053575 Date: 2009-06-12
PDB File: mh15503a.pdb Date: 2009-06-12
Coordinate mmCIF File: mh15503a_coor.mmCIF.gz Date: 2009-06-12
Structure factor mmCIF File: mh15503a_sf.mmCIF.gz Date: 2009-06-12
Deposition Date: 2009-06-12 Date: 2009-06-12


Contact Us

JCSG Menu