JCSG Target History

		Search JCSG

Target ID:

394752

Target Name:

GS13641A

Protein Accession:

YP_001302580.1

Local Accession:

GS13641A

cDNA Accession:

REF|NC_009615.1|:C1391672-1390863

PSCA

PDB:3hbk

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 glycosyl hydrolase from the DUF1080	Start Position:	26	End Position:	269
GNF Target Alias:	HK100:SpeedET-GS13641A-pdi-269-26-269	Sequence Type:	SEGMENT	Residues:	244
DNA Length:	732	Molecular Weight:	27030.82	Isoelectric Point:	5.42
Epsilon 280:	39420	Gravy Index:	-0.58	Species:	P.distasonis ATCC 8503
Activated:	0	Alanine Absolute:	18	Alanine Relative:	0.0738
Arginine Absolute:	5	Arginine Relative:	0.0205	Asparagine Absolute:	11
Asparagine Relative:	0.0451	Aspartic Acid Absolute:	16	Aspartic Acid Relative:	0.0656
Cysteine Absolute:	0	Cysteine Relative:	0.0000	Glutamic Acid Absolute:	22
Glutamic Acid Relative:	0.0902	Glutamine Absolute:	7	Glutamine Relative:	0.0287
Glycine Absolute:	26	Glycine Relative:	0.1066	Histidine Absolute:	8
Histidine Relative:	0.0328	Isoleucine Absolute:	9	Isoleucine Relative:	0.0369
Leucine Absolute:	17	Leucine Relative:	0.0697	Lysine Absolute:	24
Lysine Relative:	0.0984	Methionine Absolute:	2	Methionine Relative:	0.0082
Phenylalanine Absolute:	13	Phenylalanine Relative:	0.0533	Proline Absolute:	8
Proline Relative:	0.0328	Serine Absolute:	13	Serine Relative:	0.0533
Threonine Absolute:	14	Threonine Relative:	0.0574	Tryptophan Absolute:	5
Tryptophan Relative:	0.0205	Tyrosine Absolute:	8	Tyrosine Relative:	0.0328
Valine Absolute:	18	Valine Relative:	0.0738	Project:	GNF Autogenerated
Selection Date:	2007-09-11	PFAM:	pdb file loaded for [Hinxton #105252]

STAGE: Proposed Target

Plate: 0 Cell: 394752 Date: 2007-09-11 Status: Success

STAGE: Active Target

Plate: 63246 Cell: E03 Date: 2008-06-04 Status: Success Previous Location: Plate: 0 Cell: 394752

Sample Name: HK100:SpeedET-GS13641A-pdi-269-26-269 Date: 2008-07-06
GNF Project Name: PSI2_GutSecreted(GS) Date: 2008-07-06
GNF Program Name: JCSG Date: 2008-07-06

STAGE: PCR Testing

Plate: 63246 Cell: E03 Date: 2008-06-04 Status: Success Previous Location: Plate: 63246 Cell: E03

STAGE: Amplifer Generation

Plate: 63246 Cell: E03 Date: 2008-06-04 Status: Success Previous Location: Plate: 63246 Cell: E03

STAGE: Orientation

Plate: 63246 Cell: E03 Date: 2008-06-04 Status: Success Previous Location: Plate: 63246 Cell: E03

STAGE: Plasmid Purification

Plate: 63246 (C-0620) Cell: E03 Date: 2008-06-04 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Clone ID: 46753 Date: 2008-06-07
Strain/Vector: HK100 Date: 2008-07-06
Clone Site: SpeedET Date: 2008-07-06
Cloned Date: 2008-06-04 Date: 2008-07-06

STAGE: Expression

Plate: 63258 (E-1482) Cell: E03 Date: 2008-06-10 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-06-10 Date: 2008-10-25
Protein ID: 138401 Date: 2008-06-17
Media: Native-TB Date: 2008-07-13

Plate: 65441 (E-1538) Cell: E03 Date: 2008-07-29 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-07-29 Date: 2008-10-25
Protein ID: 145059 Date: 2008-07-31
Media: Small-scale (Mod. TB) Date: 2008-08-24

Plate: 70762 (E-1661) Cell: A09 Date: 2008-11-20 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-11-20 Date: 2009-06-18
Protein ID: 247906 Date: 2008-11-22
Media: Met-Inhibition Date: 2009-06-18

Plate: 70762 (E-1661) Cell: B09 Date: 2008-11-20 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-11-20 Date: 2009-06-18
Protein ID: 247918 Date: 2008-11-22
Media: Met-Inhibition Date: 2009-06-18

Plate: 70762 (E-1661) Cell: C09 Date: 2008-11-20 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-11-20 Date: 2009-06-18
Protein ID: 247930 Date: 2008-11-22
Media: Met-Inhibition Date: 2009-06-18

Plate: 70762 (E-1661) Cell: D09 Date: 2008-11-20 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-11-20 Date: 2009-06-18
Protein ID: 247942 Date: 2008-11-22
Media: Met-Inhibition Date: 2009-06-18

Plate: 70762 (E-1661) Cell: E09 Date: 2008-11-20 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-11-20 Date: 2009-06-18
Protein ID: 247954 Date: 2008-11-22
Media: Met-Inhibition Date: 2009-06-18

Plate: 70762 (E-1661) Cell: F09 Date: 2008-11-20 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-11-20 Date: 2009-06-18
Protein ID: 247966 Date: 2008-11-22
Media: Met-Inhibition Date: 2009-06-18

Plate: 70762 (E-1661) Cell: G09 Date: 2008-11-20 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-11-20 Date: 2009-06-18
Protein ID: 247978 Date: 2008-11-22
Media: Met-Inhibition Date: 2009-06-18

Plate: 70762 (E-1661) Cell: H09 Date: 2008-11-20 Status: Success Previous Location: Plate: 63246 (C-0620) Cell: E03

Fermentation Date: 2008-11-20 Date: 2009-06-18
Protein ID: 247990 Date: 2008-11-22
Media: Met-Inhibition Date: 2009-06-18

STAGE: Protein Purification

Plate: 63258 (E-1482) Cell: E03 Date: 2008-06-17 Status: Success Previous Location: Plate: 63258 (E-1482) Cell: E03
Plate: 65441 (E-1538) Cell: E03 Date: 2008-07-31 Status: Success Previous Location: Plate: 65441 (E-1538) Cell: E03
Plate: 70762 (E-1661) Cell: A09 Date: 2008-11-22 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: A09

Purified Concentration (mg/mL): 13.6 Date: 2009-06-18

Plate: 70762 (E-1661) Cell: B09 Date: 2008-11-22 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: B09
Plate: 70762 (E-1661) Cell: C09 Date: 2008-11-22 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: C09
Plate: 70762 (E-1661) Cell: D09 Date: 2008-11-22 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: D09
Plate: 70762 (E-1661) Cell: E09 Date: 2008-11-22 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: E09
Plate: 70762 (E-1661) Cell: F09 Date: 2008-11-22 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: F09
Plate: 70762 (E-1661) Cell: G09 Date: 2008-11-22 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: G09
Plate: 70762 (E-1661) Cell: H09 Date: 2008-11-22 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: H09

STAGE: Crystallization

Plate: 73932 (G0044198) Cell: XT Date: 2009-02-17 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: A09

Screen Type: Sparse Matrix Date: 2009-03-15
Setup Date: 2009-02-17 Date: 2009-03-15
Setup Temp: 4 Date: 2009-03-15
Crystal Conditions: GNF1 Date: 2009-03-15
Drop Volume (nl): 200.0 Date: 2009-03-15
Precipitate Volume (nl): 200 Date: 2009-03-15
Reservoir Volume (ul): 50.0 Date: 2009-03-15

Plate: 73933 (G0044550) Cell: XT Date: 2009-02-17 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: A09

Screen Type: Sparse Matrix Date: 2009-03-15
Setup Date: 2009-02-17 Date: 2009-03-15
Setup Temp: 4 Date: 2009-03-15
Crystal Conditions: GNF2 Date: 2009-03-15
Drop Volume (nl): 200.0 Date: 2009-03-15
Precipitate Volume (nl): 200 Date: 2009-03-15
Reservoir Volume (ul): 50.0 Date: 2009-03-15

Plate: 73934 (G0044510) Cell: XT Date: 2009-02-17 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: A09

Screen Type: Sparse Matrix Date: 2009-03-15
Setup Date: 2009-02-17 Date: 2009-03-15
Setup Temp: 4 Date: 2009-03-15
Crystal Conditions: GNF3 Date: 2009-03-15
Drop Volume (nl): 200.0 Date: 2009-03-15
Precipitate Volume (nl): 200 Date: 2009-03-15
Reservoir Volume (ul): 50.0 Date: 2009-03-15

Plate: 73935 (G0044217) Cell: XT Date: 2009-02-17 Status: Success Previous Location: Plate: 70762 (E-1661) Cell: A09

Screen Type: Sparse Matrix Date: 2009-03-15
Setup Date: 2009-02-17 Date: 2009-03-15
Setup Temp: 4 Date: 2009-03-15
Crystal Conditions: GNF4 Date: 2009-03-15
Drop Volume (nl): 200.0 Date: 2009-03-15
Precipitate Volume (nl): 200 Date: 2009-03-15
Reservoir Volume (ul): 50.0 Date: 2009-03-15

STAGE: Crystal Hit

Plate: 73933 (G0044550) Cell: E10 Date: 2009-02-17 Status: Success Previous Location: Plate: 73933 (G0044550) Cell: XT

Setup Date: 2009-02-17 Date: 2009-04-04
Screen Date: 2009-03-03 Date: 2009-04-04
Screen Conditions: GNF2 E10: 0.2000M NH4OAc, 30.0000% PEG-4000, 0.1M Citrate pH 5.6 Date: 2009-04-04
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-04

Plate: 73934 (G0044510) Cell: C04 Date: 2009-02-17 Status: Success Previous Location: Plate: 73934 (G0044510) Cell: XT

Setup Date: 2009-02-17 Date: 2009-04-12
Screen Date: 2009-03-17 Date: 2009-04-12
Screen Conditions: GNF3 C04: 10.0000% Glycerol, 27.0000% iso-Propanol, 0.1800M MgCl2, 0.1M HEPES pH 7.5 Date: 2009-04-12
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-12

Plate: 73935 (G0044217) Cell: B11 Date: 2009-02-17 Status: Success Previous Location: Plate: 73935 (G0044217) Cell: XT

Setup Date: 2009-02-17 Date: 2009-04-04
Screen Date: 2009-03-03 Date: 2009-04-04
Screen Conditions: GNF4 B11: 0.2000M Li2SO4, 30.0000% PEG-4000, 0.1M TRIS pH 8.5 Date: 2009-04-04
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-04-04

STAGE: SDC Receiving

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A2 Date: 2009-03-09 Status: Success Previous Location: Plate: 73935 (G0044217) Cell: B11

Shipment ID: 1983 Date: 2009-03-09

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-03-09
Crystal Comments: diamond rod Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114357 Date: 2009-03-09
Pin Position: 8478 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Stop Flag: 0 Date: 2009-04-29
SDC Stage: 2900 Date: 2009-05-04
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A3 Date: 2009-03-09 Status: Success Previous Location: Plate: 73935 (G0044217) Cell: B11

Shipment ID: 1983 Date: 2009-03-09

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-03-09
Crystal Comments: diamond rod Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114358 Date: 2009-03-09
Pin Position: 885 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A4 Date: 2009-03-09 Status: Success Previous Location: Plate: 73935 (G0044217) Cell: B11

Shipment ID: 1983 Date: 2009-03-09

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-03-09
Crystal Comments: diamond rod Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114359 Date: 2009-03-09
Pin Position: 951 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A5 Date: 2009-03-09 Status: Success Previous Location: Plate: 73935 (G0044217) Cell: B11

Shipment ID: 1983 Date: 2009-03-09

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-03-09
Crystal Comments: diamond rod Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114360 Date: 2009-03-09
Pin Position: 967 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A6 Date: 2009-03-09 Status: Success Previous Location: Plate: 73935 (G0044217) Cell: B11

Shipment ID: 1983 Date: 2009-03-09

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-03-09
Crystal Comments: diamond rod Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114361 Date: 2009-03-09
Pin Position: 2583 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A7 Date: 2009-03-09 Status: Success Previous Location: Plate: 73935 (G0044217) Cell: B11

Shipment ID: 1983 Date: 2009-03-09

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-03-09
Crystal Comments: diamond rod Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114362 Date: 2009-03-09
Pin Position: 8466 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A8 Date: 2009-03-09 Status: Success Previous Location: Plate: 73933 (G0044550) Cell: E10

Shipment ID: 1983 Date: 2009-03-09

Crystal Comments: diamond Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114363 Date: 2009-03-09
Pin Position: 907 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: B1 Date: 2009-03-09 Status: Success Previous Location: Plate: 73933 (G0044550) Cell: E10

Shipment ID: 1983 Date: 2009-03-09

Crystal Comments: diamond Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114364 Date: 2009-03-09
Pin Position: 955 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: B2 Date: 2009-03-09 Status: Success Previous Location: Plate: 73933 (G0044550) Cell: E10

Shipment ID: 1983 Date: 2009-03-09

Crystal Comments: diamond Date: 2009-03-09
Ship Date: 2009-03-09 Date: 2009-03-09
Crystal Id: 114365 Date: 2009-03-09
Pin Position: 901 Date: 2009-03-09
Ship Position: SSRL 00327 Date: 2009-03-09
Mount Date: 2009-03-06 Date: 2009-03-09

Dewar: 76246 (Venus-04/02/2009) Cassette: SSRL 00322 (SSRL 00322Venus-04/02/2009) Cell: A3 Date: 2009-04-02 Status: Success Previous Location: Plate: 73934 (G0044510) Cell: C04

Shipment ID: 2012 Date: 2009-04-02

Crystal Comments: rectangular blob Date: 2009-04-02
Ship Date: 2009-04-02 Date: 2009-04-02
Crystal Id: 117872 Date: 2009-04-02
Pin Position: 8957 Date: 2009-04-02
Ship Position: SSRL 00322 Date: 2009-04-02
Mount Date: 2009-03-31 Date: 2009-04-02

STAGE: Screening

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A2 Date: 2009-03-13 Status: Success

Xtal Quality: 8 Date: 2010-01-28
Ice Rings: 0 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: 2.4 Date: 2010-01-28
Unit Cell Length: 61,61,167 Date: 2010-01-28
Unit Cell Angles: 90,90,90 Date: 2010-01-28
Mosaicity: 0.6 Date: 2010-01-28
Beamline: SSRL BL1-5 Date: 2010-01-28
Space Group: P4 Date: 2010-01-28
Robot Y or N: 1 Date: 2010-01-28
Screen Date: 2009-03-13 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: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A3 Date: 2009-03-13 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090311/screening/cassette327/GS13641A Date: 2009-03-20
Xtal Quality: 7 Date: 2009-03-20
Ice Rings: 0 Date: 2009-03-20
Diffraction Quality: 7 Date: 2009-03-20
Single Xtal: ? Date: 2009-03-20
Spot Shape: 7 Date: 2009-03-20
Maximum Resolution: 2.5 Date: 2009-03-20
Beamline: SSRL BL1-5 Date: 2009-03-20
Robot Y or N: 1 Date: 2009-03-20
Screen Date: 2009-03-13 Date: 2009-03-20
Freezing: CLEAR Date: 2009-03-20
Loop: OK Date: 2009-03-20
Crystal Condition: CND Date: 2009-03-20

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A4 Date: 2009-03-13 Status: No Diffraction

Xtal Quality: 0 Date: 2009-03-17
Beamline: SSRL BL1-5 Date: 2009-03-17
Robot Y or N: 1 Date: 2009-03-17
Screen Date: 2009-03-13 Date: 2009-03-17
Loop: EMPTY Date: 2009-03-17

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A5 Date: 2009-03-13 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090311/screening/cassette327/GS13641A Date: 2009-03-20
Xtal Quality: 7 Date: 2009-03-20
Ice Rings: 0 Date: 2009-03-20
Diffraction Quality: 10 Date: 2009-03-20
Single Xtal: ? Date: 2009-03-20
Spot Shape: 7 Date: 2009-03-20
Maximum Resolution: 2.2 Date: 2009-03-20
Beamline: SSRL BL1-5 Date: 2009-03-20
Robot Y or N: 1 Date: 2009-03-20
Screen Date: 2009-03-13 Date: 2009-03-20
Freezing: CLEAR Date: 2009-03-20
Loop: OK Date: 2009-03-20
Crystal Condition: CND Date: 2009-03-20

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A6 Date: 2009-03-13 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090311/screening/cassette327/GS13641A Date: 2009-03-20
Xtal Quality: 4 Date: 2009-03-20
Ice Rings: 0 Date: 2009-03-20
Diffraction Quality: 1 Date: 2009-03-20
Single Xtal: 0 Date: 2009-03-20
Spot Shape: 7 Date: 2009-03-20
Maximum Resolution: 3.1 Date: 2009-03-20
Beamline: SSRL BL1-5 Date: 2009-03-20
Robot Y or N: 1 Date: 2009-03-20
Screen Date: 2009-03-13 Date: 2009-03-20
Freezing: CLEAR Date: 2009-03-20
Loop: OK Date: 2009-03-20
Crystal Condition: CND Date: 2009-03-20

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A7 Date: 2009-03-13 Status: No Diffraction

Xtal Quality: 0 Date: 2009-03-17
Ice Rings: 8 Date: 2009-03-17
Diffraction Quality: 0 Date: 2009-03-17
Beamline: SSRL BL1-5 Date: 2009-03-17
Robot Y or N: 1 Date: 2009-03-17
Screen Date: 2009-03-13 Date: 2009-03-17
Freezing: ICEBALL Date: 2009-03-17
Loop: BENT Date: 2009-03-17
Crystal Condition: CND Date: 2009-03-17

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A8 Date: 2009-03-13 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090311/screening/cassette327/GS13641A Date: 2009-03-20
Xtal Quality: 4 Date: 2009-03-20
Ice Rings: 0 Date: 2009-03-20
Diffraction Quality: 1 Date: 2009-03-20
Single Xtal: 0 Date: 2009-03-20
Spot Shape: 5 Date: 2009-03-20
Maximum Resolution: 3 Date: 2009-03-20
Beamline: SSRL BL1-5 Date: 2009-03-20
Robot Y or N: 1 Date: 2009-03-20
Screen Date: 2009-03-13 Date: 2009-03-20
Freezing: CLEAR Date: 2009-03-20
Loop: OK Date: 2009-03-20
Crystal Condition: CND Date: 2009-03-20

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: B1 Date: 2009-03-13 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090311/screening/cassette327/GS13641A Date: 2009-03-20
Xtal Quality: 4 Date: 2009-03-20
Ice Rings: 0 Date: 2009-03-20
Diffraction Quality: 6 Date: 2009-03-20
Single Xtal: 0 Date: 2009-03-20
Spot Shape: 6 Date: 2009-03-20
Maximum Resolution: 1.9 Date: 2009-03-20
Beamline: SSRL BL1-5 Date: 2009-03-20
Robot Y or N: 1 Date: 2009-03-20
Screen Date: 2009-03-13 Date: 2009-03-20
Freezing: CLEAR Date: 2009-03-20
Loop: OK Date: 2009-03-20
Crystal Condition: CND Date: 2009-03-20

Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: B2 Date: 2009-03-13 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090311/screening/cassette327/GS13641A Date: 2009-03-20
Xtal Quality: 6 Date: 2009-03-20
Ice Rings: 0 Date: 2009-03-20
Diffraction Quality: 2 Date: 2009-03-20
Single Xtal: ? Date: 2009-03-20
Spot Shape: 5 Date: 2009-03-20
Maximum Resolution: 2.2 Date: 2009-03-20
Beamline: SSRL BL1-5 Date: 2009-03-20
Robot Y or N: 1 Date: 2009-03-20
Screen Date: 2009-03-13 Date: 2009-03-20
Freezing: CLEAR Date: 2009-03-20
Loop: OK Date: 2009-03-20
Crystal Condition: CND Date: 2009-03-20

Dewar: 76246 (Venus-04/02/2009) Cassette: SSRL 00322 (SSRL 00322Venus-04/02/2009) Cell: A3 Date: 2009-04-04 Status: No Diffraction

Image Directory: /data/jcsg/ssrl4/1_5/20090330/screening/cassette322/GS13641A 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 BL1-5 Date: 2009-04-07
Robot Y or N: 1 Date: 2009-04-07
Screen Date: 2009-04-04 Date: 2009-04-07
Freezing: CLEAR Date: 2009-04-07
Loop: OK Date: 2009-04-07
Crystal Condition: CND Date: 2009-04-07

STAGE: Data Collection

Collection: 75540 Cell: 1 Date: 2009-03-19 Status: Success Previous Location: Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A2

CollectData.xml: CollectData.xml Date: 2009-03-23
Beamline.xml: beamline.xml Date: 2009-03-23
Notes file: notes.txt Date: 2009-03-23
Beamline: BL9-2 Date: 2009-03-23
ExperimentType: X-Ray Date: 2009-03-23
Program name: Blu-Ice Date: 2009-03-23
Program version: 4.0 Date: 2009-03-23
Synchrotron: SSRL Date: 2009-03-23
Detector name: MAR325 Date: 2009-03-23
Detector type: CCD Date: 2009-03-23
Detector serial: 11 Date: 2009-03-23
Detector manufacturer: MAR Date: 2009-03-23
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-2.html Date: 2009-03-23
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 0.3 Date: 2009-03-23
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2009-03-23
DC Date: 2009-03-19 Date: 2009-03-23
Performed By: Herbert Axelrod Date: 2009-03-23
Temperature (K): 100 Date: 2009-03-23
Beamline: BL9-2 Date: 2009-03-23
ImageDirectory: /data/jcsg/ssrl4/9_2/20090318/collection/GS13641A/114357/ Date: 2009-03-23
Description: l1s1 Date: 2009-03-23
Wavelength: 0.97932 Date: 2009-03-23
Anomalous fprimv: -10.62 Date: 2009-03-23
Anomalous fprprv: 3,62 Date: 2009-03-23
DetectorMode: undefined Date: 2009-03-23
Distance: 350.00 Date: 2009-03-23
BeamCenter X: 162.5 Date: 2009-03-23
BeamCenter Y: 162.5 Date: 2009-03-23
ImagePrefix: 114357_1_E1 Date: 2009-03-23
ImageSuffix: mccd Date: 2009-03-23
PhiDelta: 1.00 Date: 2009-03-23
PhiStart: 228.00 Date: 2009-03-23
FrameNumber start: 1 Date: 2009-03-23
FrameNumber end: 90 Date: 2009-03-23

Collection: 75540 Cell: 2 Date: 2009-03-19 Status: Success Previous Location: Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A2

CollectData.xml: CollectData.xml Date: 2009-03-23
Beamline.xml: beamline.xml Date: 2009-03-23
Notes file: notes.txt Date: 2009-03-23
Beamline: BL9-2 Date: 2009-03-23
ExperimentType: X-Ray Date: 2009-03-23
Program name: Blu-Ice Date: 2009-03-23
Program version: 4.0 Date: 2009-03-23
Synchrotron: SSRL Date: 2009-03-23
Detector name: MAR325 Date: 2009-03-23
Detector type: CCD Date: 2009-03-23
Detector serial: 11 Date: 2009-03-23
Detector manufacturer: MAR Date: 2009-03-23
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-2.html Date: 2009-03-23
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 0.3 Date: 2009-03-23
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2009-03-23
DC Date: 2009-03-19 Date: 2009-03-23
Performed By: Herbert Axelrod Date: 2009-03-23
Temperature (K): 100 Date: 2009-03-23
Beamline: BL9-2 Date: 2009-03-23
ImageDirectory: /data/jcsg/ssrl4/9_2/20090318/collection/GS13641A/114357/ Date: 2009-03-23
Description: l2s1 Date: 2009-03-23
Wavelength: 0.91837 Date: 2009-03-23
Anomalous fprimv: -1.7 Date: 2009-03-23
Anomalous fprprv: 3.3 Date: 2009-03-23
DetectorMode: undefined Date: 2009-03-23
Distance: 350.00 Date: 2009-03-23
BeamCenter X: 162.5 Date: 2009-03-23
BeamCenter Y: 162.5 Date: 2009-03-23
ImagePrefix: 114357_1_E2 Date: 2009-03-23
ImageSuffix: mccd Date: 2009-03-23
PhiDelta: 1.00 Date: 2009-03-23
PhiStart: 228.00 Date: 2009-03-23
FrameNumber start: 1 Date: 2009-03-23
FrameNumber end: 90 Date: 2009-03-23

Collection: 75540 Cell: 3 Date: 2009-03-19 Status: Success Previous Location: Dewar: 74942 (Venus-03/09/2009) Cassette: SSRL 00327 (SSRL 00327Venus-03/09/2009) Cell: A2

CollectData.xml: CollectData.xml Date: 2009-03-23
Beamline.xml: beamline.xml Date: 2009-03-23
Notes file: notes.txt Date: 2009-03-23
Beamline: BL9-2 Date: 2009-03-23
ExperimentType: X-Ray Date: 2009-03-23
Program name: Blu-Ice Date: 2009-03-23
Program version: 4.0 Date: 2009-03-23
Synchrotron: SSRL Date: 2009-03-23
Detector name: MAR325 Date: 2009-03-23
Detector type: CCD Date: 2009-03-23
Detector serial: 11 Date: 2009-03-23
Detector manufacturer: MAR Date: 2009-03-23
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-2.html Date: 2009-03-23
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 0.3 Date: 2009-03-23
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2009-03-23
DC Date: 2009-03-19 Date: 2009-03-23
Performed By: Herbert Axelrod Date: 2009-03-23
Temperature (K): 100 Date: 2009-03-23
Beamline: BL9-2 Date: 2009-03-23
ImageDirectory: /data/jcsg/ssrl4/9_2/20090318/collection/GS13641A/114357/ Date: 2009-03-23
Description: l3s1 Date: 2009-03-23
Wavelength: 0.97915 Date: 2009-03-23
Anomalous fprimv: -8.05 Date: 2009-03-23
Anomalous fprprv: 6.00 Date: 2009-03-23
DetectorMode: undefined Date: 2009-03-23
Distance: 350.00 Date: 2009-03-23
BeamCenter X: 162.5 Date: 2009-03-23
BeamCenter Y: 162.5 Date: 2009-03-23
ImagePrefix: 114357_2 Date: 2009-03-23
ImageSuffix: mccd Date: 2009-03-23
PhiDelta: 1.00 Date: 2009-03-23
PhiStart: 228.00 Date: 2009-03-23
FrameNumber start: 1 Date: 2009-03-23
FrameNumber end: 90 Date: 2009-03-23

STAGE: Integration

Collection: 75872 Cell: 1 Date: 2009-03-29 Status: Success Previous Location: Collection: 75540 Cell: 1

Integration Log File: INTEGRATE.LP Date: 2009-03-29
Integration Reflection File: INTEGRATE.HKL Date: 2009-03-29
Integration Name: l1s1 Date: 2009-03-29
Integration Comments: Automated processing results from XSOLVE uploaded. Data were collected as P4 to a resolution of 2.36 Angstroms. This is the Se-inflection wavelength. Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Integration Date: 2009-03-29 Date: 2009-03-29

Collection: 75872 Cell: 2 Date: 2009-03-29 Status: Success Previous Location: Collection: 75540 Cell: 2

Integration Log File: INTEGRATE.LP Date: 2009-03-29
Integration Reflection File: INTEGRATE.HKL Date: 2009-03-29
Integration Name: l2s1 Date: 2009-03-29
Integration Comments: Automated processing results from XSOLVE uploaded. Data were collected as P4 to a resolution of 2.36 Angstroms. This is the Se-remote wavelength. Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Integration Date: 2009-03-29 Date: 2009-03-29

Collection: 75872 Cell: 3 Date: 2009-03-29 Status: Success Previous Location: Collection: 75540 Cell: 3

Integration Log File: INTEGRATE.LP Date: 2009-03-29
Integration Reflection File: INTEGRATE.HKL Date: 2009-03-29
Integration Name: l3s1 Date: 2009-03-29
Integration Comments: Automated processing results from XSOLVE uploaded. Data were collected as P4 to a resolution of 2.36 Angstroms. This is the Se-peak wavelength. Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Integration Date: 2009-03-29 Date: 2009-03-29

STAGE: Scaling

Collection: 75874 Cell: 1 Date: 2009-03-29 Status: Success Previous Location: Collection: 75872 Cell: 1

Scale Log File: XSCALE.LP Date: 2009-03-29
Scale Reflection File: scale.mtz Date: 2009-03-29
Scale Name: l1s1_xcale Date: 2009-03-29
Scale Comments: Automated processing using XSOLVE uploaded. Data scaled in P422 with XDS/XSCALE to a resolution of 2.36 Angstroms. Se-inflection wavelength Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Scaling program: XSCALE Date: 2009-03-29
Program Version: January 30 Date: 2009-03-29
Cell A: 61.10 Date: 2009-03-29
Cell B: 61.10 Date: 2009-03-29
Cell C: 167.58 Date: 2009-03-29
Angle Alpha: 90.000 Date: 2009-03-29
Angle Beta: 90.000 Date: 2009-03-29
Angle Gamma: 90.000 Date: 2009-03-29
High resolution overall: 2.50 Date: 2009-03-29
Low resolution overall: 5.35 Date: 2009-03-29
Rejection criteria sigma(I) overall: -3.0 Date: 2009-03-29
Completeness overall: 99.7% Date: 2009-03-29
Redundancy overall: 3.86234952657373 Date: 2009-03-29
Rsym(I) overall: 6.5% Date: 2009-03-29
I/sigma(I) overall: 14.89 Date: 2009-03-29
High resolution limit for highest resolution shell: 2.50 Date: 2009-03-29
Low resolution limit for highest resolution shell: 2.59 Date: 2009-03-29
Completeness shell: 99.8% Date: 2009-03-29
Redundancy shell: 3.8535447761194 Date: 2009-03-29
Rsym(I) shell: 65.5% Date: 2009-03-29
I/sigma(I) shell: 2.07 Date: 2009-03-29
Observed reflections overall: 81175 Date: 2009-03-29
Unmerged HKL File: nomerge.sca Date: 2009-03-29
Scaling Date: 2009-03-29 Date: 2009-03-29
Number of reflections: 81175 Date: 2009-03-29

Collection: 75874 Cell: 2 Date: 2009-03-29 Status: Success Previous Location: Collection: 75872 Cell: 2

Scale Log File: XSCALE.LP Date: 2009-03-29
Scale Reflection File: scale.mtz Date: 2009-03-29
Scale Name: l2s1_xscale Date: 2009-03-29
Scale Comments: Automated processing using XSOLVE uploaded. Data scaled in P422 with XDS/XSCALE to a resolution of 2.36 Angstroms. Se-remote wavelength Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Scaling program: XSCALE Date: 2009-03-29
Program Version: January 30 Date: 2009-03-29
Cell A: 61.10 Date: 2009-03-29
Cell B: 61.10 Date: 2009-03-29
Cell C: 167.58 Date: 2009-03-29
Angle Alpha: 90.000 Date: 2009-03-29
Angle Beta: 90.000 Date: 2009-03-29
Angle Gamma: 90.000 Date: 2009-03-29
High resolution overall: 2.36 Date: 2009-03-29
Low resolution overall: 5.06 Date: 2009-03-29
Rejection criteria sigma(I) overall: -3.0 Date: 2009-03-29
Completeness overall: 99.1% Date: 2009-03-29
Redundancy overall: 3.85754663651781 Date: 2009-03-29
Rsym(I) overall: 6.9% Date: 2009-03-29
I/sigma(I) overall: 13.77 Date: 2009-03-29
High resolution limit for highest resolution shell: 2.36 Date: 2009-03-29
Low resolution limit for highest resolution shell: 2.44 Date: 2009-03-29
Completeness shell: 92.8% Date: 2009-03-29
Redundancy shell: 3.75812274368231 Date: 2009-03-29
Rsym(I) shell: 95.1% Date: 2009-03-29
I/sigma(I) shell: 1.43 Date: 2009-03-29
Observed reflections overall: 95536 Date: 2009-03-29
Unmerged HKL File: nomerge.sca Date: 2009-03-29
Scaling Date: 2009-03-29 Date: 2009-03-29
Number of reflections: 95536 Date: 2009-03-29

Collection: 75874 Cell: 3 Date: 2009-03-29 Status: Success Previous Location: Collection: 75872 Cell: 3

Scale Log File: XSCALE.LP Date: 2009-03-29
Scale Reflection File: scale.mtz Date: 2009-03-29
Scale Name: l3s1_xscale Date: 2009-03-29
Scale Comments: Automated processing using XSOLVE uploaded. Data scaled in P422 with XDS/XSCALE to a resolution of 2.36 Angstroms. Se-peak wavelength Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Scaling program: XSCALE Date: 2009-03-29
Program Version: January 30 Date: 2009-03-29
Cell A: 61.10 Date: 2009-03-29
Cell B: 61.10 Date: 2009-03-29
Cell C: 167.58 Date: 2009-03-29
Angle Alpha: 90.000 Date: 2009-03-29
Angle Beta: 90.000 Date: 2009-03-29
Angle Gamma: 90.000 Date: 2009-03-29
High resolution overall: 2.50 Date: 2009-03-29
Low resolution overall: 5.35 Date: 2009-03-29
Rejection criteria sigma(I) overall: -3.0 Date: 2009-03-29
Completeness overall: 99.8% Date: 2009-03-29
Redundancy overall: 3.86338563956253 Date: 2009-03-29
Rsym(I) overall: 6.2% Date: 2009-03-29
I/sigma(I) overall: 15.60 Date: 2009-03-29
High resolution limit for highest resolution shell: 2.50 Date: 2009-03-29
Low resolution limit for highest resolution shell: 2.59 Date: 2009-03-29
Completeness shell: 99.9% Date: 2009-03-29
Redundancy shell: 3.85554520037279 Date: 2009-03-29
Rsym(I) shell: 62.0% Date: 2009-03-29
I/sigma(I) shell: 2.18 Date: 2009-03-29
Observed reflections overall: 81247 Date: 2009-03-29
Unmerged HKL File: nomerge.sca Date: 2009-03-29
Scaling Date: 2009-03-29 Date: 2009-03-29
Number of reflections: 81247 Date: 2009-03-29

STAGE: Truncating

Collection: 75875 Cell: 1 Date: 2009-03-29 Status: Success Previous Location: Collection: 75874 Cell: 1

Truncate Name: l1s1_nmol1_xds Date: 2009-03-29
Truncate Comments: Se-inflection. XSOLVE results. There is one subunit in asymmetric unit. Space group p41212. Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Truncate Log File: truncate.log Date: 2009-03-29
Truncate Reflection File: truncate.mtz Date: 2009-03-29
truncate program version: 5.0 Date: 2009-03-29
Unique reflections overall: 187760 Date: 2009-03-29
Wilson_Bfact: 66.786 Date: 2009-03-29
Truncate Date: 2009-03-29 Date: 2009-03-29
Cell A: 61.0550 Date: 2009-03-29
Cell B: 61.0550 Date: 2009-03-29
Cell C: 167.4540 Date: 2009-03-29
Angle Alpha: 90.0000 Date: 2009-03-29
Angle Beta: 90.0000 Date: 2009-03-29
Angle Gamma: 90.0000 Date: 2009-03-29
Unique Reflections: 11735 Date: 2009-03-29
Resolution Range Low: 29.361 Date: 2009-03-29
Resolution Range High: 2.498 Date: 2009-03-29

Collection: 75875 Cell: 2 Date: 2009-03-29 Status: Success Previous Location: Collection: 75874 Cell: 2

Truncate Name: l2s1_nmol1_xds Date: 2009-03-29
Truncate Comments: Se-remote. XSOLVE results. There is one subunit in asymmetric unit. Space group p41212. Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Truncate Log File: truncate.log Date: 2009-03-29
Truncate Reflection File: truncate.mtz Date: 2009-03-29
truncate program version: 5.0 Date: 2009-03-29
Unique reflections overall: 220096 Date: 2009-03-29
Wilson_Bfact: 60.809 Date: 2009-03-29
Truncate Date: 2009-03-29 Date: 2009-03-29
Cell A: 61.0090 Date: 2009-03-29
Cell B: 61.0090 Date: 2009-03-29
Cell C: 167.3320 Date: 2009-03-29
Angle Alpha: 90.0000 Date: 2009-03-29
Angle Beta: 90.0000 Date: 2009-03-29
Angle Gamma: 90.0000 Date: 2009-03-29
Unique Reflections: 13756 Date: 2009-03-29
Resolution Range Low: 29.336 Date: 2009-03-29
Resolution Range High: 2.360 Date: 2009-03-29

Collection: 75875 Cell: 3 Date: 2009-03-29 Status: Success Previous Location: Collection: 75874 Cell: 3

Truncate Name: l3s1_nmol1_xds Date: 2009-03-29
Truncate Comments: Se-peak. XSOLVE results. There is one subunit in asymmetric unit. Space group p41212. Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Truncate Log File: truncate.log Date: 2009-03-29
Truncate Reflection File: truncate.mtz Date: 2009-03-29
truncate program version: 5.0 Date: 2009-03-29
Unique reflections overall: 187744 Date: 2009-03-29
Wilson_Bfact: 66.879 Date: 2009-03-29
Truncate Date: 2009-03-29 Date: 2009-03-29
Cell A: 61.1000 Date: 2009-03-29
Cell B: 61.1000 Date: 2009-03-29
Cell C: 167.5780 Date: 2009-03-29
Angle Alpha: 90.0000 Date: 2009-03-29
Angle Beta: 90.0000 Date: 2009-03-29
Angle Gamma: 90.0000 Date: 2009-03-29
Unique Reflections: 11734 Date: 2009-03-29
Resolution Range Low: 29.386 Date: 2009-03-29
Resolution Range High: 2.500 Date: 2009-03-29

STAGE: Phasing

Collection: 75876 Cell: 1 Date: 2009-03-29 Status: Success Previous Location: Collection: 75875 Cell: 1 Collection: 75875 Cell: 3 Collection: 75875 Cell: 2

Name of phasing run: l123_sharp_xds Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Phasing Comments: Automated processing using XSOLVE. Three wavelength MAD phases uploaded here. Data phased with SHELXD/autoSHARP Date: 2009-03-29
Phasing reflection file: eden-unique.mtz Date: 2009-03-29
Phasing PRT log: hatom.pdb Date: 2009-03-29
Phasing log file: sharp_log.mmcif Date: 2009-03-29
Solution Type: MAD Date: 2009-03-29
Reference Wavelength: 0.97932 Date: 2009-03-29
Phasing Date: 2009-03-29 Date: 2009-03-29

STAGE: Density Modification

Collection: 75877 Cell: 1 Date: 2009-03-29 Status: Success Previous Location: Collection: 75875 Cell: 1 Collection: 75876 Cell: 1

Name of DM run: model_resolve_sharp Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
DM Comments: Automated processing results uploaded from XSOLVE. Solvent flattening performed with resolve. Date: 2009-03-29
DM reflection file: resolve_best.mtz Date: 2009-03-29
DM log file: resolve_best.log Date: 2009-03-29
DM Date: 2009-03-29 Date: 2009-03-29

STAGE: Tracing

Collection: 75878 Cell: 1 Date: 2009-03-29 Status: Solved Structure Previous Location: Collection: 75875 Cell: 1 Collection: 75877 Cell: 1 Collection: 75876 Cell: 1

Name of tracing run: l123_model_resolve_sharp_xds Date: 2009-03-29
Performed By: 2015 Date: 2009-03-29
Tracing Comments: Automated tracing performed using the model_resolve_sharp_xds protocol of XSOLVE. 178/256 residues built ~70%). However, only 83 sidechains were docked to sequence. Date: 2009-03-29
Tracing program: Resolve Date: 2009-03-29
Tracing log file: resolve_build.log Date: 2009-03-29
Tracing reflection file: resolve_best.mtz Date: 2009-03-29
Tracing PDB: resolve_best.pdb Date: 2009-03-29
Tracing Program Version: 2.09.11 Date: 2009-03-29
Tracing Date: 2009-03-29 Date: 2009-03-29

Collection: 75878 Cell: 2 Date: 2009-04-01 Status: Solved Structure Previous Location: Collection: 75878 Cell: 1 Collection: 75875 Cell: 1 Collection: 75877 Cell: 1 Collection: 75876 Cell: 1

Name of tracing run: trace2 Date: 2009-04-01
Performed By: 2015 Date: 2009-04-01
Tracing Comments: Most of structure traced and sidechains docked. Archiving the results here before refinement. Date: 2009-04-01
Tracing program: REFMAC Date: 2009-04-01
Tracing log file: resolve_best_rb1.pdb Date: 2009-04-01
Tracing reflection file: resolve_best.mtz Date: 2009-04-01
Tracing PDB: resolve_best_rb1.pdb Date: 2009-04-01
Tracing Program Version: 5.2.0005 Date: 2009-04-01
Tracing Date: 2009-04-01 Date: 2009-04-01

STAGE: Refining

Collection: 76335 Cell: 1 Date: 2009-04-04 Status: Success Previous Location: Collection: 75878 Cell: 1 Collection: 75875 Cell: 2 Collection: 75877 Cell: 1 Collection: 75876 Cell: 1 Collection: 75878 Cell: 2

Name of refinement run: GS13641A_114357_refinetab1 Date: 2009-04-04
Performed By: 2015 Date: 2009-04-04
Refinement Comments: Residues 138 and 139 are Ramachandran outliers, and the density surrounding these residues is poor. Crystal structure contains only one Mse residue. Date: 2009-04-04
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2009-04-04
RESOLUTION RANGE HIGH:: 2.36 Date: 2009-04-04
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2009-04-04
COMPLETENESS (WORKING+TEST) (%) :: 99.71 Date: 2009-04-04
NUMBER OF REFLECTIONS :: 13010 Date: 2009-04-04
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2009-04-04
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2009-04-04
R VALUE (WORKING SET) :: 0.19947 Date: 2009-04-04
FREE R VALUE :: 0.24656 Date: 2009-04-04
FREE R VALUE TEST SET SIZE (%) :: 5.0 Date: 2009-04-04
FREE R VALUE TEST SET COUNT :: 685 Date: 2009-04-04
TOTAL NUMBER OF BINS USED :: 20 Date: 2009-04-04
BIN RESOLUTION RANGE HIGH (A) :: 2.360 Date: 2009-04-04
BIN RESOLUTION RANGE LOW (A) :: 2.422 Date: 2009-04-04
REFLECTIONS IN BIN (WORKING SET) :: 908 Date: 2009-04-04
BIN R VALUE (WORKING SET) :: 0.315 Date: 2009-04-04
BIN FREE R VALUE :: 0.479 Date: 2009-04-04
BIN FREE R VALUE TEST SET COUNT :: 48 Date: 2009-04-04
MEAN B VALUE (OVERALL, A**2) :: 41.022 Date: 2009-04-04
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: 0.05 Date: 2009-04-04
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: 0.05 Date: 2009-04-04
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -0.10 Date: 2009-04-04
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2009-04-04
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2009-04-04
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2009-04-04
SPACE GROUP: P41212 Date: 2009-04-04
MAIN-CHAIN ANGLE RMS (A**2) :: 1.701 Date: 2009-04-04
BOND LENGTHS RMS DEVIATIONS (A) :: 0.011 Date: 2009-04-04
Refinement Log: 38_refmac5.log Date: 2009-04-04
Reflection File: refmac17.mtz Date: 2009-04-04
PDB file: GS13461A_refinetab1.pdb Date: 2009-04-04
Program: REFMAC Date: 2009-04-04
Version: 5.2.0019 Date: 2009-04-04
Cell A: 61.009 Date: 2009-04-04
Cell B: 61.009 Date: 2009-04-04
Cell C: 167.332 Date: 2009-04-04
Angle Alpha: 90.00 Date: 2009-04-04
Angle Beta: 90.00 Date: 2009-04-04
Angle Gamma: 90.00 Date: 2009-04-04
ALL ATOMS: 1922 Date: 2009-04-04
ESU BASED ON R VALUE: 0.288 Date: 2009-04-04
ESU BASED ON FREE R VALUE: 0.228 Date: 2009-04-04
ESU BASED ON MAXIMUM LIKELIHOOD: 0.177 Date: 2009-04-04
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 14.593 Date: 2009-04-04
CORRELATION COEFFICIENT FO-FC: 0.953 Date: 2009-04-04
CORRELATION COEFFICIENT FO-FC FREE: 0.933 Date: 2009-04-04
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 1890 Date: 2009-04-04
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.021 Date: 2009-04-04
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.937 Date: 2009-04-04
CHIRAL-CENTER RESTRAINTS RMS: 0.100 Date: 2009-04-04
TORSION ANGLES, PERIOD COUNT: 243::93::298::6 Date: 2009-04-04
TORSION ANGLES, PERIOD RMS: 3.936::32.179::10.807::7.282 Date: 2009-04-04
TORSION ANGLES, PERIOD WEIGHT: 5.000::24.946::15.000::15.000 Date: 2009-04-04
CHIRAL-CENTER RESTRAINTS COUNT: 265 Date: 2009-04-04
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2009-04-04
GENERAL PLANES REFINED ATOMS COUNT: 2163 Date: 2009-04-04
GENERAL PLANES REFINED ATOMS RMS: 0.005 Date: 2009-04-04
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2009-04-04
NON-BONDED CONTACTS REFINED ATOMS COUNT: 314 Date: 2009-04-04
NON-BONDED CONTACTS REFINED ATOMS RMS: 0.178 Date: 2009-04-04
NON-BONDED CONTACTS REFINED ATOMS WEIGHT: 0.300 Date: 2009-04-04
NON-BONDED CONTACTS OTHERS COUNT: 1280 Date: 2009-04-04
NON-BONDED CONTACTS OTHERS RMS: 0.178 Date: 2009-04-04
NON-BONDED CONTACTS OTHERS WEIGHT: 0.300 Date: 2009-04-04
H-BOND COUNT: 156 Date: 2009-04-04
H-BOND RMS: 0.200 Date: 2009-04-04
H-BOND WEIGHT: 0.500 Date: 2009-04-04
SYMMETRY VDW REFINED ATOMS COUNT: 3 Date: 2009-04-04
SYMMETRY VDW REFINED ATOMS RMS: 0.202 Date: 2009-04-04
SYMMETRY VDW REFINED ATOMS WEIGHT: 0.300 Date: 2009-04-04
MAIN-CHAIN BOND REFINED ATOMS COUNT: 1275 Date: 2009-04-04
MAIN-CHAIN BOND REFINED ATOMS RMS: 1.491 Date: 2009-04-04
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 3.000 Date: 2009-04-04
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 1845 Date: 2009-04-04
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 2.417 Date: 2009-04-04
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 5.000 Date: 2009-04-04
SIDE-CHAIN BOND REFINED ATOMS COUNT: 824 Date: 2009-04-04
SIDE-CHAIN BOND REFINED ATOMS RMS: 4.294 Date: 2009-04-04
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 8.000 Date: 2009-04-04
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 710 Date: 2009-04-04
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 5.157 Date: 2009-04-04
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 11.000 Date: 2009-04-04
METHOD USED: MASK Date: 2009-04-04
VDW PROBE RADIUS: 1.20 Date: 2009-04-04
ION PROBE RADIUS: 0.80 Date: 2009-04-04
SHRINKAGE RADIUS: 0.80 Date: 2009-04-04
Refinement Date : 2009-04-04 Date: 2009-04-04
Refinement Technical Note: qc_check1.html Date: 2009-04-04
Structure Refinement Summary: GS13461A_refinetab1.txt Date: 2009-04-04
Matthews Coef: 1.44 Date: 2009-07-26
Solvent Percentage: 14.46 Date: 2009-07-26

Collection: 76335 Cell: 2 Date: 2009-04-29 Status: Success Previous Location: Collection: 76335 Cell: 1 Collection: 75878 Cell: 1 Collection: 75875 Cell: 2 Collection: 75877 Cell: 1 Collection: 75876 Cell: 1 Collection: 75878 Cell: 2

Name of refinement run: GS13461A_refinetab2 Date: 2009-04-29
Performed By: 2015 Date: 2009-04-29
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2009-04-29
RESOLUTION RANGE HIGH:: 2.36 Date: 2009-04-29
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2009-04-29
COMPLETENESS (WORKING+TEST) (%) :: 99.71 Date: 2009-04-29
NUMBER OF REFLECTIONS :: 13010 Date: 2009-04-29
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2009-04-29
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2009-04-29
R VALUE (WORKING SET) :: 0.19806 Date: 2009-04-29
FREE R VALUE :: 0.24482 Date: 2009-04-29
FREE R VALUE TEST SET SIZE (%) :: 5.0 Date: 2009-04-29
FREE R VALUE TEST SET COUNT :: 685 Date: 2009-04-29
TOTAL NUMBER OF BINS USED :: 20 Date: 2009-04-29
BIN RESOLUTION RANGE HIGH (A) :: 2.360 Date: 2009-04-29
BIN RESOLUTION RANGE LOW (A) :: 2.422 Date: 2009-04-29
REFLECTIONS IN BIN (WORKING SET) :: 908 Date: 2009-04-29
BIN R VALUE (WORKING SET) :: 0.311 Date: 2009-04-29
BIN FREE R VALUE :: 0.473 Date: 2009-04-29
BIN FREE R VALUE TEST SET COUNT :: 48 Date: 2009-04-29
MEAN B VALUE (OVERALL, A**2) :: 41.459 Date: 2009-04-29
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: -0.21 Date: 2009-04-29
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: -0.21 Date: 2009-04-29
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: 0.42 Date: 2009-04-29
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2009-04-29
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2009-04-29
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2009-04-29
SPACE GROUP: P41212 Date: 2009-04-29
MAIN-CHAIN ANGLE RMS (A**2) :: 1.651 Date: 2009-04-29
BOND LENGTHS RMS DEVIATIONS (A) :: 0.011 Date: 2009-04-29
Refinement Log: 42_refmac5.log Date: 2009-04-29
Reflection File: refmac19.mtz Date: 2009-04-29
PDB file: GS13641A_refinetab2.pdb Date: 2009-04-29
Program: REFMAC Date: 2009-04-29
Version: 5.2.0019 Date: 2009-04-29
Cell A: 61.009 Date: 2009-04-29
Cell B: 61.009 Date: 2009-04-29
Cell C: 167.332 Date: 2009-04-29
Angle Alpha: 90.00 Date: 2009-04-29
Angle Beta: 90.00 Date: 2009-04-29
Angle Gamma: 90.00 Date: 2009-04-29
ALL ATOMS: 1916 Date: 2009-04-29
ESU BASED ON R VALUE: 0.285 Date: 2009-04-29
ESU BASED ON FREE R VALUE: 0.226 Date: 2009-04-29
ESU BASED ON MAXIMUM LIKELIHOOD: 0.175 Date: 2009-04-29
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 14.445 Date: 2009-04-29
CORRELATION COEFFICIENT FO-FC: 0.953 Date: 2009-04-29
CORRELATION COEFFICIENT FO-FC FREE: 0.932 Date: 2009-04-29
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 1885 Date: 2009-04-29
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.021 Date: 2009-04-29
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.938 Date: 2009-04-29
CHIRAL-CENTER RESTRAINTS RMS: 0.099 Date: 2009-04-29
TORSION ANGLES, PERIOD COUNT: 242::93::294::6 Date: 2009-04-29
TORSION ANGLES, PERIOD RMS: 3.860::32.272::10.911::10.164 Date: 2009-04-29
TORSION ANGLES, PERIOD WEIGHT: 5.000::24.946::15.000::15.000 Date: 2009-04-29
CHIRAL-CENTER RESTRAINTS COUNT: 263 Date: 2009-04-29
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2009-04-29
GENERAL PLANES REFINED ATOMS COUNT: 2160 Date: 2009-04-29
GENERAL PLANES REFINED ATOMS RMS: 0.004 Date: 2009-04-29
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2009-04-29
NON-BONDED CONTACTS REFINED ATOMS COUNT: 300 Date: 2009-04-29
NON-BONDED CONTACTS REFINED ATOMS RMS: 0.175 Date: 2009-04-29
NON-BONDED CONTACTS REFINED ATOMS WEIGHT: 0.300 Date: 2009-04-29
NON-BONDED CONTACTS OTHERS COUNT: 1268 Date: 2009-04-29
NON-BONDED CONTACTS OTHERS RMS: 0.177 Date: 2009-04-29
NON-BONDED CONTACTS OTHERS WEIGHT: 0.300 Date: 2009-04-29
H-BOND COUNT: 157 Date: 2009-04-29
H-BOND RMS: 0.197 Date: 2009-04-29
H-BOND WEIGHT: 0.500 Date: 2009-04-29
SYMMETRY VDW REFINED ATOMS COUNT: 3 Date: 2009-04-29
SYMMETRY VDW REFINED ATOMS RMS: 0.192 Date: 2009-04-29
SYMMETRY VDW REFINED ATOMS WEIGHT: 0.300 Date: 2009-04-29
MAIN-CHAIN BOND REFINED ATOMS COUNT: 1264 Date: 2009-04-29
MAIN-CHAIN BOND REFINED ATOMS RMS: 1.479 Date: 2009-04-29
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 3.000 Date: 2009-04-29
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 1840 Date: 2009-04-29
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 2.384 Date: 2009-04-29
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 5.000 Date: 2009-04-29
SIDE-CHAIN BOND REFINED ATOMS COUNT: 820 Date: 2009-04-29
SIDE-CHAIN BOND REFINED ATOMS RMS: 4.258 Date: 2009-04-29
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 8.000 Date: 2009-04-29
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 709 Date: 2009-04-29
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 5.131 Date: 2009-04-29
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 11.000 Date: 2009-04-29
METHOD USED: MASK Date: 2009-04-29
VDW PROBE RADIUS: 1.20 Date: 2009-04-29
ION PROBE RADIUS: 0.80 Date: 2009-04-29
SHRINKAGE RADIUS: 0.80 Date: 2009-04-29
Refinement Date : 2009-04-29 Date: 2009-04-29
Refinement Technical Note: qc_check2.html Date: 2009-04-29
Structure Refinement Summary: refinetab2.txt Date: 2009-04-29
Matthews Coef: 2.87 Date: 2010-03-14
Solvent Percentage: 57.23 Date: 2010-03-14

STAGE: QC

Collection: 77101 Cell: 1 Date: 2009-04-28 Status: QC Return Previous Location: Collection: 76335 Cell: 1

Performed By: 79 Date: 2009-04-28
QC Log: Y--4-qch.txt Date: 2009-04-28
QC Date: 2009-04-28 Date: 2009-04-28
QC Set Name: qc1 Date: 2009-04-28

Collection: 77101 Cell: 2 Date: 2009-04-29 Status: Success Previous Location: Collection: 76335 Cell: 2

Performed By: 79 Date: 2009-04-29
QC Date: 2009-04-29 Date: 2009-04-29
QC Set Name: qc2 Date: 2009-04-29

STAGE: Validation

Collection: 77208 Cell: 1 Date: 2009-05-04 Status: Success Previous Location: Collection: 77101 Cell: 2

STAGE: PDB Deposition

Collection: 77467 Cell: 1 Date: 2009-05-04 Status: Success Previous Location: Collection: 77208 Cell: 1

PDB ID: 3hbk Date: 2009-05-04
RCSB ID: rcsb052932 Date: 2009-05-04
PDB File: gs13641a.pdb Date: 2009-05-04
Coordinate mmCIF File: gs13641a_coor.mmCIF.gz Date: 2009-05-04
Structure factor mmCIF File: gs13641a_sf.mmCIF.gz Date: 2009-05-04
Deposition Date: 2009-05-04 Date: 2009-05-04


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