JCSG Target History

		Search JCSG

Target ID:

378153

Target Name:

FM11809A

Protein Accession:

SSUI_28JUL04_CONTIG175_REVISED_GENE346

Local Accession:

FM11809A

cDNA Accession:

SSUI_28JUL04_CONTIG175_REVISED_GENE346

PSCA

PDB:3bdd

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 multiple antibiotic-resistance repressor (MarR).	Start Position:	1	End Position:	141
GNF Target Alias:	HK100:SpeedET-FM11809A-ssu-141-1-141	Sequence Type:	COMPLETE	Residues:	141
DNA Length:	423	Molecular Weight:	16279.93	Isoelectric Point:	5.80
Epsilon 280:	9970	Gravy Index:	-0.29	Species:	S. suis 89-1591
Activated:	0	Alanine Absolute:	10	Alanine Relative:	0.0709
Arginine Absolute:	9	Arginine Relative:	0.0638	Asparagine Absolute:	6
Asparagine Relative:	0.0426	Aspartic Acid Absolute:	6	Aspartic Acid Relative:	0.0426
Cysteine Absolute:	0	Cysteine Relative:	0.0000	Glutamic Acid Absolute:	13
Glutamic Acid Relative:	0.0922	Glutamine Absolute:	12	Glutamine Relative:	0.0851
Glycine Absolute:	3	Glycine Relative:	0.0213	Histidine Absolute:	4
Histidine Relative:	0.0284	Isoleucine Absolute:	11	Isoleucine Relative:	0.0780
Leucine Absolute:	25	Leucine Relative:	0.1773	Lysine Absolute:	7
Lysine Relative:	0.0496	Methionine Absolute:	3	Methionine Relative:	0.0213
Phenylalanine Absolute:	2	Phenylalanine Relative:	0.0142	Proline Absolute:	5
Proline Relative:	0.0355	Serine Absolute:	7	Serine Relative:	0.0496
Threonine Absolute:	9	Threonine Relative:	0.0638	Tryptophan Absolute:	1
Tryptophan Relative:	0.0071	Tyrosine Absolute:	3	Tyrosine Relative:	0.0213
Valine Absolute:	5	Valine Relative:	0.0355	Project:	Fine Grained Coverage 6
Selection Date:	2007-05-11

STAGE: Proposed Target

Plate: 0 Cell: 378153 Date: 2007-05-11 Status: Success

STAGE: Active Target

Plate: 49378 Cell: G10 Date: 2007-06-14 Status: Success Previous Location: Plate: 0 Cell: 378153

Sample Name: HK100:SpeedET-FM11809A-ssu-141-1-141 Date: 2007-07-15
GNF Project Name: PSI2_FineGrainCoverage6(FM) Date: 2007-07-15
GNF Program Name: JCSG Date: 2007-07-15

STAGE: PCR Testing

Plate: 49378 Cell: G10 Date: 2007-06-14 Status: Success Previous Location: Plate: 49378 Cell: G10

STAGE: Amplifer Generation

Plate: 49378 Cell: G10 Date: 2007-06-14 Status: Success Previous Location: Plate: 49378 Cell: G10

STAGE: Orientation

Plate: 49378 Cell: G10 Date: 2007-06-14 Status: Success Previous Location: Plate: 49378 Cell: G10

STAGE: Plasmid Purification

Plate: 49378 (C-0499) Cell: G10 Date: 2007-06-14 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Clone ID: 34272 Date: 2007-06-19
Strain/Vector: HK100 Date: 2007-07-15
Clone Site: SpeedET Date: 2007-07-15
Cloned Date: 2007-06-14 Date: 2007-07-15

STAGE: Expression

Plate: 49380 (E-1150) Cell: G10 Date: 2007-06-15 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-06-15 Date: 2007-08-09
Protein ID: 102986 Date: 2007-06-19
Media: Small-scale (Mod. TB) Date: 2007-07-15

Plate: 50099 (E-1168) Cell: A02 Date: 2007-07-06 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-07-06 Date: 2007-08-13
GNFuge Date: 2007-07-09 Date: 2007-08-13
Protein ID: 104348 Date: 2007-07-10
Media: Met-Inhibition Date: 2007-08-13

Plate: 50099 (E-1168) Cell: B02 Date: 2007-07-06 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-07-06 Date: 2007-08-13
GNFuge Date: 2007-07-09 Date: 2007-08-13
Protein ID: 104360 Date: 2007-07-10
Media: Met-Inhibition Date: 2007-08-08

Plate: 50099 (E-1168) Cell: C02 Date: 2007-07-06 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-07-06 Date: 2007-08-13
GNFuge Date: 2007-07-09 Date: 2007-08-13
Protein ID: 104372 Date: 2007-07-10
Media: Met-Inhibition Date: 2007-08-08

Plate: 50099 (E-1168) Cell: D02 Date: 2007-07-06 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-07-06 Date: 2007-08-13
GNFuge Date: 2007-07-09 Date: 2007-08-13
Protein ID: 104384 Date: 2007-07-10
Media: Met-Inhibition Date: 2007-08-08

Plate: 50099 (E-1168) Cell: E02 Date: 2007-07-06 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-07-06 Date: 2007-08-13
GNFuge Date: 2007-07-09 Date: 2007-08-13
Protein ID: 104396 Date: 2007-07-10
Media: Met-Inhibition Date: 2007-08-08

Plate: 50099 (E-1168) Cell: F02 Date: 2007-07-06 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-07-06 Date: 2007-08-13
GNFuge Date: 2007-07-09 Date: 2007-08-13
Protein ID: 104408 Date: 2007-07-10
Media: Met-Inhibition Date: 2007-08-08

Plate: 50099 (E-1168) Cell: G02 Date: 2007-07-06 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-07-06 Date: 2007-08-13
GNFuge Date: 2007-07-09 Date: 2007-08-13
Protein ID: 104420 Date: 2007-07-10
Media: Met-Inhibition Date: 2007-08-08

Plate: 50099 (E-1168) Cell: H02 Date: 2007-07-06 Status: Success Previous Location: Plate: 49378 (C-0499) Cell: G10

Fermentation Date: 2007-07-06 Date: 2007-08-13
GNFuge Date: 2007-07-09 Date: 2007-08-13
Protein ID: 104432 Date: 2007-07-10
Media: Met-Inhibition Date: 2007-08-08

STAGE: Protein Purification

Plate: 49380 (E-1150) Cell: G10 Date: 2007-06-19 Status: Success Previous Location: Plate: 49380 (E-1150) Cell: G10
Plate: 50099 (E-1168) Cell: A02 Date: 2007-07-10 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: A02

Purified Concentration (mg/mL): 16.0 Date: 2007-08-13

Plate: 50099 (E-1168) Cell: B02 Date: 2007-07-10 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: B02
Plate: 50099 (E-1168) Cell: C02 Date: 2007-07-10 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: C02
Plate: 50099 (E-1168) Cell: D02 Date: 2007-07-10 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: D02
Plate: 50099 (E-1168) Cell: E02 Date: 2007-07-10 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: E02
Plate: 50099 (E-1168) Cell: F02 Date: 2007-07-10 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: F02
Plate: 50099 (E-1168) Cell: G02 Date: 2007-07-10 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: G02
Plate: 50099 (E-1168) Cell: H02 Date: 2007-07-10 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: H02

STAGE: Crystallization

Plate: 50817 (G0029141) Cell: XT Date: 2007-07-27 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: A02

Screen Type: Sparse Matrix Date: 2007-08-26
Setup Date: 2007-07-27 Date: 2007-08-26
Setup Temp: 4 Date: 2007-08-26
Crystal Conditions: GNF1 Date: 2007-08-26
Drop Volume (nl): 200.0 Date: 2007-08-26
Precipitate Volume (nl): 200 Date: 2007-08-26
Reservoir Volume (ul): 50.0 Date: 2007-08-26

Plate: 50818 (G0028670) Cell: XT Date: 2007-07-27 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: A02

Screen Type: Sparse Matrix Date: 2007-08-26
Setup Date: 2007-07-27 Date: 2007-08-26
Setup Temp: 4 Date: 2007-08-26
Crystal Conditions: GNF2 Date: 2007-08-26
Drop Volume (nl): 200.0 Date: 2007-08-26
Precipitate Volume (nl): 200 Date: 2007-08-26
Reservoir Volume (ul): 50.0 Date: 2007-08-26

Plate: 50819 (G0028691) Cell: XT Date: 2007-07-27 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: A02

Screen Type: Sparse Matrix Date: 2007-08-26
Setup Date: 2007-07-27 Date: 2007-08-26
Setup Temp: 4 Date: 2007-08-26
Crystal Conditions: GNF3 Date: 2007-08-26
Drop Volume (nl): 200.0 Date: 2007-08-26
Precipitate Volume (nl): 200 Date: 2007-08-26
Reservoir Volume (ul): 50.0 Date: 2007-08-26

Plate: 50820 (G0033869) Cell: XT Date: 2007-07-27 Status: Success Previous Location: Plate: 50099 (E-1168) Cell: A02

Screen Type: Sparse Matrix Date: 2007-08-26
Setup Date: 2007-07-27 Date: 2007-08-26
Setup Temp: 4 Date: 2007-08-26
Crystal Conditions: GNF4 Date: 2007-08-26
Drop Volume (nl): 200.0 Date: 2007-08-26
Precipitate Volume (nl): 200 Date: 2007-08-26
Reservoir Volume (ul): 50.0 Date: 2007-08-26

STAGE: Crystal Hit

Plate: 50817 (G0029141) Cell: E01 Date: 2007-07-27 Status: Success Previous Location: Plate: 50817 (G0029141) Cell: XT

Setup Date: 2007-07-27 Date: 2009-06-27
Screen Date: 2007-08-24 Date: 2009-06-27
Screen Conditions: GNF1 E01: 0.2M NH4NO3, 20.0% PEG-3350, No Buffer pH 6.3 Date: 2007-09-15
Crystal Classification: PROBABLY HARVESTABLE Date: 2007-09-15

Plate: 50817 (G0029141) Cell: E09 Date: 2007-07-27 Status: Success Previous Location: Plate: 50817 (G0029141) Cell: XT

Setup Date: 2007-07-27 Date: 2009-06-27
Screen Date: 2007-08-24 Date: 2009-06-27
Screen Conditions: GNF1 E09: 0.2M (NH4)2SO4, 20.0% PEG-3350, No Buffer pH 6.0 Date: 2007-09-15
Crystal Classification: CRYSTAL HIT Date: 2007-09-15

Plate: 50817 (G0029141) Cell: G04 Date: 2007-07-27 Status: Success Previous Location: Plate: 50817 (G0029141) Cell: XT

Setup Date: 2007-07-27 Date: 2009-06-27
Screen Date: 2007-08-24 Date: 2009-06-27
Screen Conditions: GNF1 G04: 20.0% PEG-6000, 0.1M Citrate pH 5.0 Date: 2007-09-28
Crystal Classification: CRYSTAL HIT Date: 2007-09-28

Plate: 50817 (G0029141) Cell: G08 Date: 2007-07-27 Status: Success Previous Location: Plate: 50817 (G0029141) Cell: XT

Setup Date: 2007-07-27 Date: 2009-06-27
Screen Date: 2007-08-24 Date: 2009-06-27
Screen Conditions: GNF1 G08: 0.2000M NH4H2PO4, 20.0000% PEG-3350, No Buffer pH 4.6 Date: 2009-06-27
Crystal Classification: CRYSTAL HIT Date: 2009-06-27

Plate: 50818 (G0028670) Cell: A11 Date: 2007-07-27 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: XT

Setup Date: 2007-07-27 Date: 2009-09-13
Screen Date: 2007-08-24 Date: 2009-09-13
Screen Conditions: GNF2 A11: 2.0000M NH4H2PO4, 0.1M TRIS pH 8.5 Date: 2009-09-13
Crystal Classification: CRYSTAL HIT Date: 2009-09-13

Plate: 50818 (G0028670) Cell: B01 Date: 2007-07-27 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: XT

Setup Date: 2007-07-27 Date: 2009-09-13
Screen Date: 2007-08-24 Date: 2009-09-13
Screen Conditions: GNF2 B01: 2.0M (NH4)2SO4, 0.1M TRIS pH 8.5 Date: 2007-09-08
Crystal Classification: CRYSTAL HIT Date: 2007-09-08

Plate: 50818 (G0028670) Cell: C02 Date: 2007-07-27 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: XT

Setup Date: 2007-07-27 Date: 2009-09-13
Screen Date: 2007-08-24 Date: 2009-09-13
Screen Conditions: GNF2 C02: 2.0M (NH4)2SO4, 2.0% PEG-400, 0.1M HEPES pH 7.5 Date: 2007-09-28
Crystal Classification: CRYSTAL HIT Date: 2007-09-28

Plate: 50818 (G0028670) Cell: C06 Date: 2007-07-27 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: XT

Setup Date: 2007-07-27 Date: 2009-09-13
Screen Date: 2007-08-24 Date: 2009-09-13
Screen Conditions: GNF2 C06: 2.0M (NH4)2SO4, 0.2M Li2SO4, 0.1M TRIS pH 7.0 Date: 2007-09-28
Crystal Classification: CRYSTAL HIT Date: 2007-09-28

Plate: 50818 (G0028670) Cell: E09 Date: 2007-07-27 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: XT

Setup Date: 2007-07-27 Date: 2009-09-13
Screen Date: 2007-08-24 Date: 2009-09-13
Screen Conditions: GNF2 E09: 0.5M (NH4)2SO4, 1.0M Li2SO4, 0.1M Citrate pH 5.6 Date: 2007-09-28
Crystal Classification: CRYSTAL HIT Date: 2007-09-28

Plate: 50818 (G0028670) Cell: F09 Date: 2007-07-27 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: XT

Setup Date: 2007-07-27 Date: 2009-09-13
Screen Date: 2007-08-24 Date: 2009-09-13
Screen Conditions: GNF2 F09: 1.6M (NH4)2SO4, 0.1M Citrate pH 5.0 Date: 2007-09-28
Crystal Classification: CRYSTAL HIT Date: 2007-09-28

Plate: 50818 (G0028670) Cell: H01 Date: 2007-07-27 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: XT

Setup Date: 2007-07-27 Date: 2009-09-13
Screen Date: 2007-08-24 Date: 2009-09-13
Screen Conditions: GNF2 H01: 0.2M Ca(OAc)2, 30.0% PEG-400, 0.1M Acetate pH 4.5 Date: 2007-09-15
Crystal Classification: CRYSTAL HIT Date: 2007-09-15

Plate: 50818 (G0028670) Cell: H05 Date: 2007-07-27 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: XT

Setup Date: 2007-07-27 Date: 2009-09-13
Screen Date: 2007-08-24 Date: 2009-09-13
Screen Conditions: GNF2 H05: 0.2M NaCl, 20.0% PEG-8000, 0.1M Phosphate Citrate pH 4.2 Date: 2007-09-15
Crystal Classification: PROBABLY HARVESTABLE Date: 2007-09-15

Plate: 50819 (G0028691) Cell: H02 Date: 2007-07-27 Status: Success Previous Location: Plate: 50819 (G0028691) Cell: XT

Setup Date: 2007-07-27 Date: 2008-03-23
Screen Date: 2007-08-13 Date: 2008-03-23
Screen Conditions: GNF3 H02: 0.2000M CaCl2, 20.0000% iso-Propanol, 0.1M Acetate pH 4.6 Date: 2008-03-23
Crystal Classification: CRYSTAL HIT Date: 2008-03-23

Plate: 50820 (G0033869) Cell: E03 Date: 2007-07-27 Status: Success Previous Location: Plate: 50820 (G0033869) Cell: XT

Setup Date: 2007-07-27 Date: 2007-09-28
Screen Date: 2007-08-24 Date: 2007-09-28
Screen Conditions: GNF4 E03: 0.2M (NH4)2SO4, 40.0% MPD, 0.1M TRIS pH 7.0 Date: 2007-09-15
Crystal Classification: CRYSTAL HIT Date: 2007-09-15

Plate: 50820 (G0033869) Cell: F06 Date: 2007-07-27 Status: Success Previous Location: Plate: 50820 (G0033869) Cell: XT

Setup Date: 2007-07-27 Date: 2007-09-28
Screen Date: 2007-08-24 Date: 2007-09-28
Screen Conditions: GNF4 F06: 0.1M KH2PO4, 2.0M NaCl, 0.1M NaH2PO4, 0.1M MES pH 6.5 Date: 2007-09-28
Crystal Classification: CRYSTAL HIT Date: 2007-09-28

STAGE: SDC Receiving

Dewar: 51647 (Robin-08/15/2007) Cassette: SSRL 00322 (SSRL 00322Robin-08/15/2007) Cell: F7 Date: 2007-08-15 Status: Success Previous Location: Plate: 50818 (G0028670) Cell: H05

Shipment ID: 1332 Date: 2007-08-15

Cryo Conditions: 20% Glycerol Date: 2007-08-15
Crystal Comments: square Date: 2007-08-15
Ship Date: 2007-08-15 Date: 2007-08-15
Crystal Id: 59519 Date: 2007-08-15
Pin Position: 1327 Date: 2007-08-15
Ship Position: SSRL 00322 Date: 2007-08-15
Stop Flag: 0 Date: 2007-10-10
SDC Stage: 2900 Date: 2007-11-14
Mount Date: 2007-08-15 Date: 2007-08-15

Dewar: 51907 (Optimus Prime-08/22/2007) Cassette: SSRL 00330 (SSRL 00330Optimus Prime-08/22/2007) Cell: E4 Date: 2007-08-22 Status: Success Previous Location: Plate: 50817 (G0029141) Cell: E01

Shipment ID: 1340 Date: 2007-08-22

Cryo Conditions: 10% Ethylene-Glycol Date: 2007-08-22
Crystal Comments: Cube-like Date: 2007-08-22
Ship Date: 2007-08-22 Date: 2007-08-22
Crystal Id: 60167 Date: 2007-08-22
Pin Position: 1429 Date: 2007-08-22
Ship Position: SSRL 00330 Date: 2007-08-22
Mount Date: 2007-08-22 Date: 2007-08-22

STAGE: Screening

Dewar: 51647 (Robin-08/15/2007) Cassette: SSRL 00322 (SSRL 00322Robin-08/15/2007) Cell: F7 Date: 2007-08-25 Status: Success

Image Directory: /data/jcsg/ssrl3/micro2/20070821/screening/cassette322/FM11809A Date: 2009-11-10
Xtal Quality: 7 Date: 2009-11-10
Ice Rings: 0 Date: 2009-11-10
Diffraction Quality: 5 Date: 2009-11-10
Single Xtal: ? Date: 2009-11-10
Spot Shape: 8 Date: 2009-11-10
Maximum Resolution: 3 Date: 2009-11-10
Beamline: SSRL MICR2 Date: 2009-11-10
Robot Y or N: 1 Date: 2009-11-10
Screen Date: 2007-08-25 Date: 2009-11-10
Freezing: CLEAR Date: 2009-11-10
Loop: OK Date: 2009-11-10
Crystal Condition: CND Date: 2009-11-10
Comments: 2A at als, but problematic Date: 2009-11-10

Dewar: 51907 (Optimus Prime-08/22/2007) Cassette: SSRL 00330 (SSRL 00330Optimus Prime-08/22/2007) Cell: E4 Date: 2007-09-03 Status: Success

Image Directory: /data/jcsg/ssrl3/micro2/20070828/screening/cassette330/FM11809A Date: 2007-10-24
Xtal Quality: 5 Date: 2007-10-24
Ice Rings: 10 Date: 2007-10-24
Diffraction Quality: 6 Date: 2007-10-24
Single Xtal: 1 Date: 2007-10-24
Spot Shape: 8 Date: 2007-10-24
Maximum Resolution: 4 Date: 2007-10-24
Beamline: SSRL MICR2 Date: 2007-10-24
Robot Y or N: 1 Date: 2007-10-24
Screen Date: 2007-09-03 Date: 2007-10-24
Freezing: ICEBALL Date: 2007-10-24
Loop: OK Date: 2007-10-24
Crystal Condition: CND Date: 2007-10-24

STAGE: Data Collection

Collection: 52280 Cell: 1 Date: 2007-08-30 Status: Success Previous Location: Dewar: 51647 (Robin-08/15/2007) Cassette: SSRL 00322 (SSRL 00322Robin-08/15/2007) Cell: F7

CollectData.xml: CollectData.xml Date: 2007-09-04
Beamline.xml: beamline.xml Date: 2007-09-04
Notes file: notes.txt Date: 2007-09-04
Beamline: 8.2.2 Date: 2007-09-04
ExperimentType: X-Ray Date: 2007-09-04
Program name: DCS Date: 2007-09-04
Program version: 1.1 Date: 2007-09-04
Synchrotron: ALS Date: 2007-09-04
Detector name: Q315 Date: 2007-09-04
Detector type: CCD Date: 2007-09-04
Detector serial: 905 Date: 2007-09-04
Detector manufacturer: ADSC Date: 2007-09-04
BeamlineInfoURL: http://biosync.sdsc.edu/als/8.2.2.html Date: 2007-09-04
MOSFLM_DETECTOR_PARAMETERS: SCANNER ADSC ADCOFFSET 40 GAIN 0.15 LIMITS XMIN 0 XMAX 315 YMIN 0 YMAX 315 XSCAN 157.5 YSCAN 157.5 NULLPIX 0 OVERLOAD CUTOFF 65534 PROFILE OPTIMIZE CUTOFF 65535 DISTORTION YSCALE 1.0 TILT 0 TWIST 0 Date: 2007-09-04
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.9 DIVERGENCE 0.1 0.02 DISPERSION 0.0001 Date: 2007-09-04
DC Date: 2007-08-30 Date: 2007-09-04
Performed By: Qingping Xu Date: 2007-09-04
Temperature (K): 100 Date: 2007-09-04
Beamline: 8.2.2 Date: 2007-09-04
ImageDirectory: /data/jcsg/als3/8.2.2/20070830/collection/FM11809A/59519/ Date: 2007-09-04
Description: l1s1 Date: 2007-09-04
Wavelength: 0.9798 Date: 2007-09-04
Anomalous fprimv: -12 Date: 2007-09-04
Anomalous fprprv: 5 Date: 2007-09-04
DetectorMode: undefined Date: 2007-09-04
Distance: 250.02 Date: 2007-09-04
BeamCenter X: 156.4 Date: 2007-09-04
BeamCenter Y: 152.9 Date: 2007-09-04
ImagePrefix: 59519_1_E1 Date: 2007-09-04
ImageSuffix: img Date: 2007-09-04
PhiDelta: 0.5 Date: 2007-09-04
PhiStart: 23.0000 Date: 2007-09-04
FrameNumber start: 1 Date: 2007-09-04
FrameNumber end: 180 Date: 2007-09-04

Collection: 52280 Cell: 2 Date: 2007-08-30 Status: Success Previous Location: Dewar: 51647 (Robin-08/15/2007) Cassette: SSRL 00322 (SSRL 00322Robin-08/15/2007) Cell: F7

CollectData.xml: CollectData.xml Date: 2007-09-04
Beamline.xml: beamline.xml Date: 2007-09-04
Notes file: notes.txt Date: 2007-09-04
Beamline: 8.2.2 Date: 2007-09-04
ExperimentType: X-Ray Date: 2007-09-04
Program name: DCS Date: 2007-09-04
Program version: 1.1 Date: 2007-09-04
Synchrotron: ALS Date: 2007-09-04
Detector name: Q315 Date: 2007-09-04
Detector type: CCD Date: 2007-09-04
Detector serial: 905 Date: 2007-09-04
Detector manufacturer: ADSC Date: 2007-09-04
BeamlineInfoURL: http://biosync.sdsc.edu/als/8.2.2.html Date: 2007-09-04
MOSFLM_DETECTOR_PARAMETERS: SCANNER ADSC ADCOFFSET 40 GAIN 0.15 LIMITS XMIN 0 XMAX 315 YMIN 0 YMAX 315 XSCAN 157.5 YSCAN 157.5 NULLPIX 0 OVERLOAD CUTOFF 65534 PROFILE OPTIMIZE CUTOFF 65535 DISTORTION YSCALE 1.0 TILT 0 TWIST 0 Date: 2007-09-04
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.9 DIVERGENCE 0.1 0.02 DISPERSION 0.0001 Date: 2007-09-04
DC Date: 2007-08-30 Date: 2007-09-04
Performed By: Qingping Xu Date: 2007-09-04
Temperature (K): 100 Date: 2007-09-04
Beamline: 8.2.2 Date: 2007-09-04
ImageDirectory: /data/jcsg/als3/8.2.2/20070830/collection/FM11809A/59519/ Date: 2007-09-04
Description: l2s1 Date: 2007-09-04
Wavelength: 1.0000 Date: 2007-09-04
Anomalous fprimv: -3.4 Date: 2007-09-04
Anomalous fprprv: 0.5 Date: 2007-09-04
DetectorMode: undefined Date: 2007-09-04
Distance: 250.02 Date: 2007-09-04
BeamCenter X: 156.4 Date: 2007-09-04
BeamCenter Y: 152.9 Date: 2007-09-04
ImagePrefix: 59519_1_E2 Date: 2007-09-04
ImageSuffix: img Date: 2007-09-04
PhiDelta: 0.5 Date: 2007-09-04
PhiStart: 23.0000 Date: 2007-09-04
FrameNumber start: 1 Date: 2007-09-04
FrameNumber end: 180 Date: 2007-09-04

STAGE: Integration

Collection: 52468 Cell: 1 Date: 2007-09-10 Status: Success Previous Location: Collection: 52280 Cell: 1

Integration Log File: infl-mosflm.log Date: 2007-09-10
Integration Reflection File: infl-raw.mtz Date: 2007-09-10
Integration Name: l1i Date: 2007-09-10
Integration Comments: integration down with mosflm with Elves Date: 2007-09-10
Performed By: 79 Date: 2007-09-10
Integration Program: MOSFLM Date: 2007-09-10
Program Version: 6.2.6 Date: 2007-09-10
Integration Date: 2007-09-10 Date: 2007-09-10

Collection: 52468 Cell: 2 Date: 2007-09-10 Status: Success Previous Location: Collection: 52280 Cell: 2

Integration Log File: lrem-mosflm.log Date: 2007-09-10
Integration Reflection File: lrem-raw.mtz Date: 2007-09-10
Integration Name: l2i Date: 2007-09-10
Performed By: 79 Date: 2007-09-10
Integration Program: MOSFLM Date: 2007-09-10
Program Version: 6.2.6 Date: 2007-09-10
Integration Date: 2007-09-10 Date: 2007-09-10

STAGE: Scaling

Collection: 52511 Cell: 1 Date: 2007-09-11 Status: Success Previous Location: Collection: 52468 Cell: 1

Scale Log File: l1-scala.log Date: 2007-09-11
Scale Reflection File: infl-lrem-scala_l1.mtz Date: 2007-09-11
Scale Name: l1s Date: 2007-09-11
Performed By: 79 Date: 2007-09-11
Scaling program: SCALA Date: 2007-09-11
Program Version: 3.2.25 Date: 2007-09-11
Space group: P2 Date: 2007-09-11
Cell A: 50.7340 Date: 2007-09-11
Cell B: 100.4300 Date: 2007-09-11
Cell C: 68.6945 Date: 2007-09-11
Angle Alpha: 90.0000 Date: 2007-09-11
Angle Beta: 111.4180 Date: 2007-09-11
Angle Gamma: 90.0000 Date: 2007-09-11
High resolution overall: 2.20 Date: 2007-09-11
Low resolution overall: 15.90 Date: 2007-09-11
Completeness overall: 95.7 Date: 2007-09-11
Redundancy overall: 1.9 Date: 2007-09-11
Rsym(I) overall: 0.071 Date: 2007-09-11
I/sigma(I) overall: 8.4 Date: 2007-09-11
High resolution limit for highest resolution shell: 2.20 Date: 2007-09-11
Low resolution limit for highest resolution shell: 2.32 Date: 2007-09-11
Completeness shell: 97.4 Date: 2007-09-11
Redundancy shell: 1.9 Date: 2007-09-11
Rsym(I) shell: 0.457 Date: 2007-09-11
I/sigma(I) shell: 1.6 Date: 2007-09-11
Observed reflections overall: 59044 Date: 2007-09-11
Unmerged HKL File: l1.sca Date: 2007-09-11
Scaling Date: 2007-09-11 Date: 2007-09-11
Number of reflections: 59044 Date: 2007-09-11

Collection: 52511 Cell: 2 Date: 2007-09-11 Status: Success Previous Location: Collection: 52468 Cell: 2

Scale Log File: l2-scala.log Date: 2007-09-11
Scale Reflection File: infl-lrem-scala_l2.mtz Date: 2007-09-11
Scale Name: l2s Date: 2007-09-11
Performed By: 79 Date: 2007-09-11
Scaling program: SCALA Date: 2007-09-11
Program Version: 3.2.25 Date: 2007-09-11
Space group: P2 Date: 2007-09-11
Cell A: 50.7340 Date: 2007-09-11
Cell B: 100.4300 Date: 2007-09-11
Cell C: 68.6945 Date: 2007-09-11
Angle Alpha: 90.0000 Date: 2007-09-11
Angle Beta: 111.4180 Date: 2007-09-11
Angle Gamma: 90.0000 Date: 2007-09-11
High resolution overall: 2.20 Date: 2007-09-11
Low resolution overall: 15.90 Date: 2007-09-11
Completeness overall: 95.6 Date: 2007-09-11
Redundancy overall: 1.9 Date: 2007-09-11
Rsym(I) overall: 0.066 Date: 2007-09-11
I/sigma(I) overall: 7.9 Date: 2007-09-11
High resolution limit for highest resolution shell: 2.20 Date: 2007-09-11
Low resolution limit for highest resolution shell: 2.32 Date: 2007-09-11
Completeness shell: 97.1 Date: 2007-09-11
Redundancy shell: 1.9 Date: 2007-09-11
Rsym(I) shell: 0.417 Date: 2007-09-11
I/sigma(I) shell: 1.7 Date: 2007-09-11
Observed reflections overall: 59065 Date: 2007-09-11
Unmerged HKL File: l2.sca Date: 2007-09-11
Scaling Date: 2007-09-11 Date: 2007-09-11
Number of reflections: 59065 Date: 2007-09-11

STAGE: Truncating

Collection: 52512 Cell: 1 Date: 2007-09-11 Status: Success Previous Location: Collection: 52511 Cell: 1

Truncate Name: l1t Date: 2007-09-11
Truncate Comments: p21 nmol=4 Date: 2007-09-11
Performed By: 79 Date: 2007-09-11
Truncate Log File: 1_truncate.log Date: 2007-09-11
Truncate Reflection File: infl-lrem-scala_l1_truncate1.mtz Date: 2007-09-11
truncate program version: 6.0 Date: 2007-09-11
Unique reflections overall: 124388 Date: 2007-09-11
Wilson_Bfact: 36.956 Date: 2007-09-11
Truncate Date: 2007-09-11 Date: 2007-09-11
Cell A: 50.7340 Date: 2007-09-11
Cell B: 100.4300 Date: 2007-09-11
Cell C: 68.6945 Date: 2007-09-11
Angle Alpha: 90.0000 Date: 2007-09-11
Angle Beta: 111.4180 Date: 2007-09-11
Angle Gamma: 90.0000 Date: 2007-09-11
Unique Reflections: 31094 Date: 2007-09-11
Resolution Range Low: 15.562 Date: 2007-09-11
Resolution Range High: 2.200 Date: 2007-09-11

Collection: 52512 Cell: 2 Date: 2007-09-11 Status: Success Previous Location: Collection: 52511 Cell: 2

Truncate Name: l2t Date: 2007-09-11
Performed By: 79 Date: 2007-09-11
Truncate Log File: 2_truncate.log Date: 2007-09-11
Truncate Reflection File: infl-lrem-scala_l2_truncate1.mtz Date: 2007-09-11
truncate program version: 6.0 Date: 2007-09-11
Unique reflections overall: 124288 Date: 2007-09-11
Wilson_Bfact: 37.261 Date: 2007-09-11
Truncate Date: 2007-09-11 Date: 2007-09-11
Cell A: 50.7340 Date: 2007-09-11
Cell B: 100.4300 Date: 2007-09-11
Cell C: 68.6945 Date: 2007-09-11
Angle Alpha: 90.0000 Date: 2007-09-11
Angle Beta: 111.4180 Date: 2007-09-11
Angle Gamma: 90.0000 Date: 2007-09-11
Unique Reflections: 31068 Date: 2007-09-11
Resolution Range Low: 15.895 Date: 2007-09-11
Resolution Range High: 2.200 Date: 2007-09-11

STAGE: Phasing

Collection: 52513 Cell: 1 Date: 2007-09-11 Status: Success Previous Location: Collection: 52512 Cell: 1 Collection: 52512 Cell: 2

Name of phasing run: shelx-sharp Date: 2007-09-14
Performed By: 79 Date: 2007-09-14
Phasing reflection file: eden-unique.mtz Date: 2007-09-11
Phasing PRT log: hatom.pdb Date: 2007-09-11
Phasing log file: autosharp.mmcif Date: 2007-09-14
Solution Type: MAD Date: 2007-09-14
Reference Wavelength: 1.0000 Date: 2007-09-14
Phasing Date: 2007-09-11 Date: 2007-09-14

STAGE: Density Modification

Collection: 52514 Cell: 1 Date: 2007-09-11 Status: Success Previous Location: Collection: 52512 Cell: 2 Collection: 52513 Cell: 1

Name of DM run: sharp-solomon Date: 2007-09-11
Performed By: 79 Date: 2007-09-11
DM Comments: the map is not very good, but it is definitely protein map Date: 2007-09-11
DM reflection file: eden_flat_46.2pc.mtz Date: 2007-09-11
DM log file: solo_46.2pc.log.html Date: 2007-09-11
DM Date: 2007-09-11 Date: 2007-09-11

STAGE: Tracing

Collection: 52515 Cell: 1 Date: 2007-09-11 Status: Solved Structure Previous Location: Collection: 52512 Cell: 2 Collection: 52514 Cell: 1 Collection: 52513 Cell: 1

Name of tracing run: resolve-iterative Date: 2007-09-11
Performed By: 79 Date: 2007-09-11
Tracing program: RESOLVE Date: 2007-09-11
Tracing log file: resolve_best.log Date: 2007-09-11
Tracing reflection file: resolve_best.mtz Date: 2007-09-11
Tracing PDB: resolve_best.pdb Date: 2007-09-11
Tracing Program Version: 2.03 Date: 2007-09-11
Tracing Date: 2007-09-11 Date: 2007-09-11

STAGE: Refining

Collection: 53343 Cell: 1 Date: 2007-10-02 Status: Success Previous Location: Collection: 52515 Cell: 1 Collection: 52512 Cell: 2 Collection: 52514 Cell: 1 Collection: 52513 Cell: 1

Name of refinement run: ref1 Date: 2007-10-02
Performed By: 2793 Date: 2007-10-02
Refinement Comments: see notes Date: 2007-10-02
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2007-10-02
RESOLUTION RANGE HIGH:: 2.20 Date: 2007-10-02
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2007-10-02
COMPLETENESS (WORKING+TEST) (%) :: 95.45 Date: 2007-10-02
NUMBER OF REFLECTIONS :: 29485 Date: 2007-10-02
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2007-10-02
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2007-10-02
R VALUE (WORKING SET) :: 0.22474 Date: 2007-10-02
FREE R VALUE :: 0.27845 Date: 2007-10-02
FREE R VALUE TEST SET SIZE (%) :: 5.1 Date: 2007-10-02
FREE R VALUE TEST SET COUNT :: 1581 Date: 2007-10-02
TOTAL NUMBER OF BINS USED :: 20 Date: 2007-10-02
BIN RESOLUTION RANGE HIGH (A) :: 2.200 Date: 2007-10-02
BIN RESOLUTION RANGE LOW (A) :: 2.257 Date: 2007-10-02
REFLECTIONS IN BIN (WORKING SET) :: 2146 Date: 2007-10-02
BIN R VALUE (WORKING SET) :: 0.304 Date: 2007-10-02
BIN FREE R VALUE :: 0.375 Date: 2007-10-02
BIN FREE R VALUE TEST SET COUNT :: 143 Date: 2007-10-02
MEAN B VALUE (OVERALL, A**2) :: 44.069 Date: 2007-10-02
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: -0.37 Date: 2007-10-02
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: 0.40 Date: 2007-10-02
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -0.05 Date: 2007-10-02
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2007-10-02
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: -0.03 Date: 2007-10-02
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2007-10-02
SPACE GROUP: P21 Date: 2007-10-02
MAIN-CHAIN ANGLE RMS (A**2) :: 1.439 Date: 2007-10-02
BOND LENGTHS RMS DEVIATIONS (A) :: 0.012 Date: 2007-10-02
Refinement Log: submitted1.log Date: 2007-10-02
Reflection File: submitted1.mtz Date: 2007-10-02
PDB file: submitted1.pdb Date: 2007-10-02
Program: REFMAC Date: 2007-10-02
Version: 5.3.0040 Date: 2007-10-02
Cell A: 50.734 Date: 2007-10-02
Cell B: 100.430 Date: 2007-10-02
Cell C: 68.695 Date: 2007-10-02
Angle Alpha: 90.00 Date: 2007-10-02
Angle Beta: 111.42 Date: 2007-10-02
Angle Gamma: 90.00 Date: 2007-10-02
ALL ATOMS: 4592 Date: 2007-10-02
ESU BASED ON R VALUE: 0.328 Date: 2007-10-02
ESU BASED ON FREE R VALUE: 0.250 Date: 2007-10-02
ESU BASED ON MAXIMUM LIKELIHOOD: 0.229 Date: 2007-10-02
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 18.226 Date: 2007-10-02
CORRELATION COEFFICIENT FO-FC: 0.939 Date: 2007-10-02
CORRELATION COEFFICIENT FO-FC FREE: 0.908 Date: 2007-10-02
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 4466 Date: 2007-10-02
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2007-10-02
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.993 Date: 2007-10-02
CHIRAL-CENTER RESTRAINTS RMS: 0.082 Date: 2007-10-02
TORSION ANGLES, PERIOD COUNT: 550::206::855::31 Date: 2007-10-02
TORSION ANGLES, PERIOD RMS: 3.198::28.618::10.982::11.248 Date: 2007-10-02
TORSION ANGLES, PERIOD WEIGHT: 5.000::25.049::15.000::15.000 Date: 2007-10-02
CHIRAL-CENTER RESTRAINTS COUNT: 735 Date: 2007-10-02
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2007-10-02
GENERAL PLANES REFINED ATOMS COUNT: 4814 Date: 2007-10-02
GENERAL PLANES REFINED ATOMS RMS: 0.004 Date: 2007-10-02
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2007-10-02
NON-BONDED CONTACTS REFINED ATOMS COUNT: 978 Date: 2007-10-02
NON-BONDED CONTACTS REFINED ATOMS RMS: 0.151 Date: 2007-10-02
NON-BONDED CONTACTS REFINED ATOMS WEIGHT: 0.200 Date: 2007-10-02
NON-BONDED CONTACTS OTHERS COUNT: 2802 Date: 2007-10-02
NON-BONDED CONTACTS OTHERS RMS: 0.109 Date: 2007-10-02
NON-BONDED CONTACTS OTHERS WEIGHT: 0.200 Date: 2007-10-02
H-BOND COUNT: 146 Date: 2007-10-02
H-BOND RMS: 0.084 Date: 2007-10-02
H-BOND WEIGHT: 0.200 Date: 2007-10-02
SYMMETRY VDW REFINED ATOMS COUNT: 23 Date: 2007-10-02
SYMMETRY VDW REFINED ATOMS RMS: 0.055 Date: 2007-10-02
SYMMETRY VDW REFINED ATOMS WEIGHT: 0.200 Date: 2007-10-02
MAIN-CHAIN BOND REFINED ATOMS COUNT: 3406 Date: 2007-10-02
MAIN-CHAIN BOND REFINED ATOMS RMS: 1.031 Date: 2007-10-02
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 3.000 Date: 2007-10-02
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 4436 Date: 2007-10-02
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 1.450 Date: 2007-10-02
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 5.000 Date: 2007-10-02
SIDE-CHAIN BOND REFINED ATOMS COUNT: 1847 Date: 2007-10-02
SIDE-CHAIN BOND REFINED ATOMS RMS: 3.324 Date: 2007-10-02
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 8.000 Date: 2007-10-02
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 1615 Date: 2007-10-02
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 4.569 Date: 2007-10-02
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 11.000 Date: 2007-10-02
METHOD USED: BABINET MODEL WITH MASK Date: 2007-10-02
VDW PROBE RADIUS: 1.20 Date: 2007-10-02
ION PROBE RADIUS: 0.80 Date: 2007-10-02
SHRINKAGE RADIUS: 0.80 Date: 2007-10-02
Refinement Date : 2007-10-02 Date: 2007-10-02
Refinement Technical Note: qc_check1.html Date: 2007-10-02
Structure Refinement Summary: refinement_summary1.doc Date: 2007-10-02

Collection: 53343 Cell: 2 Date: 2007-10-10 Status: Success Previous Location: Collection: 52515 Cell: 1 Collection: 52512 Cell: 2 Collection: 52514 Cell: 1 Collection: 52513 Cell: 1 Collection: 53343 Cell: 1

Name of refinement run: ref2 Date: 2007-10-10
Performed By: 2793 Date: 2007-10-10
Refinement Comments: see notes Date: 2007-10-10
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2007-10-10
RESOLUTION RANGE HIGH:: 2.20 Date: 2007-10-10
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2007-10-10
COMPLETENESS (WORKING+TEST) (%) :: 95.45 Date: 2007-10-10
NUMBER OF REFLECTIONS :: 29485 Date: 2007-10-10
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2007-10-10
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2007-10-10
R VALUE (WORKING SET) :: 0.22281 Date: 2007-10-10
FREE R VALUE :: 0.27517 Date: 2007-10-10
FREE R VALUE TEST SET SIZE (%) :: 5.1 Date: 2007-10-10
FREE R VALUE TEST SET COUNT :: 1581 Date: 2007-10-10
TOTAL NUMBER OF BINS USED :: 20 Date: 2007-10-10
BIN RESOLUTION RANGE HIGH (A) :: 2.200 Date: 2007-10-10
BIN RESOLUTION RANGE LOW (A) :: 2.257 Date: 2007-10-10
REFLECTIONS IN BIN (WORKING SET) :: 2146 Date: 2007-10-10
BIN R VALUE (WORKING SET) :: 0.302 Date: 2007-10-10
BIN FREE R VALUE :: 0.370 Date: 2007-10-10
BIN FREE R VALUE TEST SET COUNT :: 143 Date: 2007-10-10
MEAN B VALUE (OVERALL, A**2) :: 39.499 Date: 2007-10-10
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: 0.51 Date: 2007-10-10
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: -0.35 Date: 2007-10-10
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -0.04 Date: 2007-10-10
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2007-10-10
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.16 Date: 2007-10-10
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2007-10-10
SPACE GROUP: P21 Date: 2007-10-10
MAIN-CHAIN ANGLE RMS (A**2) :: 1.411 Date: 2007-10-10
BOND LENGTHS RMS DEVIATIONS (A) :: 0.012 Date: 2007-10-10
Refinement Log: submitted2.log Date: 2007-10-10
Reflection File: submitted2.mtz Date: 2007-10-10
PDB file: submitted2.pdb Date: 2007-10-10
Program: REFMAC Date: 2007-10-10
Version: 5.3.0040 Date: 2007-10-10
Cell A: 50.734 Date: 2007-10-10
Cell B: 100.430 Date: 2007-10-10
Cell C: 68.695 Date: 2007-10-10
Angle Alpha: 90.00 Date: 2007-10-10
Angle Beta: 111.42 Date: 2007-10-10
Angle Gamma: 90.00 Date: 2007-10-10
ALL ATOMS: 4630 Date: 2007-10-10
ESU BASED ON R VALUE: 0.329 Date: 2007-10-10
ESU BASED ON FREE R VALUE: 0.248 Date: 2007-10-10
ESU BASED ON MAXIMUM LIKELIHOOD: 0.223 Date: 2007-10-10
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 17.317 Date: 2007-10-10
CORRELATION COEFFICIENT FO-FC: 0.940 Date: 2007-10-10
CORRELATION COEFFICIENT FO-FC FREE: 0.910 Date: 2007-10-10
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 4462 Date: 2007-10-10
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2007-10-10
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.993 Date: 2007-10-10
CHIRAL-CENTER RESTRAINTS RMS: 0.081 Date: 2007-10-10
TORSION ANGLES, PERIOD COUNT: 551::202::846::29 Date: 2007-10-10
TORSION ANGLES, PERIOD RMS: 3.131::28.684::10.745::10.545 Date: 2007-10-10
TORSION ANGLES, PERIOD WEIGHT: 5.000::25.248::15.000::15.000 Date: 2007-10-10
CHIRAL-CENTER RESTRAINTS COUNT: 739 Date: 2007-10-10
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2007-10-10
GENERAL PLANES REFINED ATOMS COUNT: 4813 Date: 2007-10-10
GENERAL PLANES REFINED ATOMS RMS: 0.003 Date: 2007-10-10
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2007-10-10
NON-BONDED CONTACTS REFINED ATOMS COUNT: 957 Date: 2007-10-10
NON-BONDED CONTACTS REFINED ATOMS RMS: 0.150 Date: 2007-10-10
NON-BONDED CONTACTS REFINED ATOMS WEIGHT: 0.200 Date: 2007-10-10
NON-BONDED CONTACTS OTHERS COUNT: 2741 Date: 2007-10-10
NON-BONDED CONTACTS OTHERS RMS: 0.111 Date: 2007-10-10
NON-BONDED CONTACTS OTHERS WEIGHT: 0.200 Date: 2007-10-10
H-BOND COUNT: 170 Date: 2007-10-10
H-BOND RMS: 0.084 Date: 2007-10-10
H-BOND WEIGHT: 0.200 Date: 2007-10-10
SYMMETRY VDW REFINED ATOMS COUNT: 29 Date: 2007-10-10
SYMMETRY VDW REFINED ATOMS RMS: 0.055 Date: 2007-10-10
SYMMETRY VDW REFINED ATOMS WEIGHT: 0.200 Date: 2007-10-10
MAIN-CHAIN BOND REFINED ATOMS COUNT: 3422 Date: 2007-10-10
MAIN-CHAIN BOND REFINED ATOMS RMS: 0.977 Date: 2007-10-10
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 3.000 Date: 2007-10-10
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 4456 Date: 2007-10-10
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 1.288 Date: 2007-10-10
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 5.000 Date: 2007-10-10
SIDE-CHAIN BOND REFINED ATOMS COUNT: 1823 Date: 2007-10-10
SIDE-CHAIN BOND REFINED ATOMS RMS: 3.070 Date: 2007-10-10
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 8.000 Date: 2007-10-10
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 1594 Date: 2007-10-10
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 4.372 Date: 2007-10-10
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 11.000 Date: 2007-10-10
METHOD USED: BABINET MODEL WITH MASK Date: 2007-10-10
VDW PROBE RADIUS: 1.20 Date: 2007-10-10
ION PROBE RADIUS: 0.80 Date: 2007-10-10
SHRINKAGE RADIUS: 0.80 Date: 2007-10-10
Refinement Date : 2007-10-10 Date: 2007-10-10
Refinement Technical Note: qc_check2.html Date: 2007-10-10
Structure Refinement Summary: refinement_summary2.doc Date: 2007-10-10

STAGE: QC

Collection: 53531 Cell: 1 Date: 2007-10-08 Status: QC Return Previous Location: Collection: 53343 Cell: 1

Performed By: 79 Date: 2007-10-08
QC Log: Y--work-QA-FM11809A-qc.txt Date: 2007-10-08
QC Date: 2007-10-08 Date: 2007-10-08
QC Set Name: qc1 Date: 2007-10-08

Collection: 53531 Cell: 2 Date: 2007-10-10 Status: Success Previous Location: Collection: 53343 Cell: 2

Performed By: 79 Date: 2007-10-10
QC Date: 2007-10-10 Date: 2007-10-10
QC Set Name: for pdb Date: 2007-10-10

STAGE: Validation

Collection: 53681 Cell: 1 Date: 2007-11-14 Status: Success Previous Location: Collection: 53531 Cell: 2

STAGE: PDB Deposition

Collection: 55343 Cell: 1 Date: 2007-11-14 Status: Success Previous Location: Collection: 53681 Cell: 1

PDB ID: 3bdd Date: 2007-11-14
RCSB ID: rcsb045380 Date: 2007-11-14
PDB File: C--Documents-and-Settings-tamara-Desktop-PDB-DEPOSITION-FM11809A-fm11809a.pdb Date: 2007-11-14
Coordinate mmCIF File: C--Documents-and-Settings-tamara-Desktop-PDB-DEPOSITION-FM11809A-fm11809a_coor.mmCIF.gz Date: 2007-11-14
Structure factor mmCIF File: C--Documents-and-Settings-tamara-Desktop-PDB-DEPOSITION-FM11809A-fm11809a_sf.mmCIF.gz Date: 2007-11-14
Deposition Date: 2007-11-14 Date: 2007-11-14


Contact Us

JCSG Menu