JCSG Target History

		Search JCSG

Target ID:

396550

Target Name:

PX9961L

Protein Accession:

YP_001298690.1

Local Accession:

PX9961L

cDNA Accession:

REF|NC_009614.1|:C1841838-1840231

PSCA

PDB:3jys

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 outer membrane protein, probably involved in nutrient binding.	Start Position:	38	End Position:	535
GNF Target Alias:	HK100:SpeedET-PX9961L-bvu-535-38-535	Sequence Type:	SEGMENT	Residues:	498
DNA Length:	1494	Molecular Weight:	56279.75	Isoelectric Point:	4.72
Epsilon 280:	117230	Gravy Index:	-0.48	Species:	B. vulgatus ATCC 8482
Activated:	0	Alanine Absolute:	43	Alanine Relative:	0.0863
Arginine Absolute:	23	Arginine Relative:	0.0462	Asparagine Absolute:	37
Asparagine Relative:	0.0743	Aspartic Acid Absolute:	35	Aspartic Acid Relative:	0.0703
Cysteine Absolute:	5	Cysteine Relative:	0.0100	Glutamic Acid Absolute:	37
Glutamic Acid Relative:	0.0743	Glutamine Absolute:	14	Glutamine Relative:	0.0281
Glycine Absolute:	37	Glycine Relative:	0.0743	Histidine Absolute:	4
Histidine Relative:	0.0080	Isoleucine Absolute:	31	Isoleucine Relative:	0.0622
Leucine Absolute:	37	Leucine Relative:	0.0743	Lysine Absolute:	26
Lysine Relative:	0.0522	Methionine Absolute:	9	Methionine Relative:	0.0181
Phenylalanine Absolute:	20	Phenylalanine Relative:	0.0402	Proline Absolute:	18
Proline Relative:	0.0361	Serine Absolute:	31	Serine Relative:	0.0622
Threonine Absolute:	26	Threonine Relative:	0.0522	Tryptophan Absolute:	14
Tryptophan Relative:	0.0281	Tyrosine Absolute:	27	Tyrosine Relative:	0.0542
Valine Absolute:	24	Valine Relative:	0.0482	Project:	GNF Autogenerated
Selection Date:	2008-07-14	PFAM:	pdb file loaded for [Hinxton #114135]

STAGE: Proposed Target

Plate: 0 Cell: 396550 Date: 2008-07-14 Status: Success

STAGE: Active Target

Plate: 67958 Cell: G07 Date: 2008-09-16 Status: Success Previous Location: Plate: 0 Cell: 396550

Sample Name: HK100:SpeedET-PX9961L-bvu-535-38-535 Date: 2008-10-12
GNF Project Name: PSI2_PFAMtrunk1_524(PX) Date: 2008-10-12
GNF Program Name: JCSG Date: 2008-10-12

STAGE: PCR Testing

Plate: 67958 Cell: G07 Date: 2008-09-16 Status: Success Previous Location: Plate: 67958 Cell: G07

STAGE: Amplifer Generation

Plate: 67958 Cell: G07 Date: 2008-09-16 Status: Success Previous Location: Plate: 67958 Cell: G07

STAGE: Orientation

Plate: 67958 Cell: G07 Date: 2008-09-16 Status: Success Previous Location: Plate: 67958 Cell: G07

STAGE: Plasmid Purification

Plate: 67958 (C-0637) Cell: G07 Date: 2008-09-16 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Clone ID: 48664 Date: 2008-09-18
Strain/Vector: HK100 Date: 2008-10-12
Clone Site: SpeedET Date: 2008-10-12
Cloned Date: 2008-09-16 Date: 2008-10-12

STAGE: Expression

Plate: 67992 (E-1597) Cell: G07 Date: 2008-09-17 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2008-09-17 Date: 2009-04-05
Protein ID: 151063 Date: 2008-09-19
Media: Small-scale (Mod. TB) Date: 2008-10-18

Plate: 72346 (E-1691) Cell: A11 Date: 2009-01-14 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2009-01-14 Date: 2009-06-18
Protein ID: 251543 Date: 2009-01-17
Media: Met-Inhibition Date: 2009-06-18

Plate: 72346 (E-1691) Cell: B11 Date: 2009-01-14 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2009-01-14 Date: 2009-06-18
Protein ID: 251555 Date: 2009-01-17
Media: Met-Inhibition Date: 2009-06-18

Plate: 72346 (E-1691) Cell: C11 Date: 2009-01-14 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2009-01-14 Date: 2009-06-18
Protein ID: 251567 Date: 2009-01-17
Media: Met-Inhibition Date: 2009-06-18

Plate: 72346 (E-1691) Cell: D11 Date: 2009-01-14 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2009-01-14 Date: 2009-06-18
Protein ID: 251579 Date: 2009-01-17
Media: Met-Inhibition Date: 2009-06-18

Plate: 72346 (E-1691) Cell: E11 Date: 2009-01-14 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2009-01-14 Date: 2009-06-18
Protein ID: 251591 Date: 2009-01-17
Media: Met-Inhibition Date: 2009-06-18

Plate: 72346 (E-1691) Cell: F11 Date: 2009-01-14 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2009-01-14 Date: 2009-06-18
Protein ID: 251603 Date: 2009-01-17
Media: Met-Inhibition Date: 2009-06-18

Plate: 72346 (E-1691) Cell: G11 Date: 2009-01-14 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2009-01-14 Date: 2009-06-18
Protein ID: 251615 Date: 2009-01-17
Media: Met-Inhibition Date: 2009-06-18

Plate: 72346 (E-1691) Cell: H11 Date: 2009-01-14 Status: Success Previous Location: Plate: 67958 (C-0637) Cell: G07

Fermentation Date: 2009-01-14 Date: 2009-06-18
Protein ID: 251627 Date: 2009-01-17
Media: Met-Inhibition Date: 2009-06-18

STAGE: Protein Purification

Plate: 67992 (E-1597) Cell: G07 Date: 2008-09-19 Status: Success Previous Location: Plate: 67992 (E-1597) Cell: G07
Plate: 72346 (E-1691) Cell: A11 Date: 2009-01-17 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: A11

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

Plate: 72346 (E-1691) Cell: B11 Date: 2009-01-17 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: B11
Plate: 72346 (E-1691) Cell: C11 Date: 2009-01-17 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: C11
Plate: 72346 (E-1691) Cell: D11 Date: 2009-01-17 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: D11
Plate: 72346 (E-1691) Cell: E11 Date: 2009-01-17 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: E11
Plate: 72346 (E-1691) Cell: F11 Date: 2009-01-17 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: F11
Plate: 72346 (E-1691) Cell: G11 Date: 2009-01-17 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: G11
Plate: 72346 (E-1691) Cell: H11 Date: 2009-01-17 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: H11

STAGE: Crystallization

Plate: 75817 (G0043559) Cell: XT Date: 2009-03-24 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: A11

Screen Type: Sparse Matrix Date: 2009-04-26
Setup Date: 2009-03-24 Date: 2009-04-26
Setup Temp: 4 Date: 2009-04-26
Crystal Conditions: GNF1 Date: 2009-04-26
Drop Volume (nl): 200.0 Date: 2009-04-26
Precipitate Volume (nl): 200 Date: 2009-04-26
Reservoir Volume (ul): 50.0 Date: 2009-04-26

Plate: 75818 (G0043582) Cell: XT Date: 2009-03-24 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: A11

Screen Type: Sparse Matrix Date: 2009-04-26
Setup Date: 2009-03-24 Date: 2009-04-26
Setup Temp: 4 Date: 2009-04-26
Crystal Conditions: GNF2 Date: 2009-04-26
Drop Volume (nl): 200.0 Date: 2009-04-26
Precipitate Volume (nl): 200 Date: 2009-04-26
Reservoir Volume (ul): 50.0 Date: 2009-04-26

Plate: 75819 (G0043137) Cell: XT Date: 2009-03-24 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: A11

Screen Type: Sparse Matrix Date: 2009-04-26
Setup Date: 2009-03-24 Date: 2009-04-26
Setup Temp: 4 Date: 2009-04-26
Crystal Conditions: GNF2 Date: 2009-04-26
Drop Volume (nl): 200.0 Date: 2009-04-26
Precipitate Volume (nl): 200 Date: 2009-04-26
Reservoir Volume (ul): 50.0 Date: 2009-04-26

Plate: 75820 (G0043350) Cell: XT Date: 2009-03-24 Status: Success Previous Location: Plate: 72346 (E-1691) Cell: A11

Screen Type: Sparse Matrix Date: 2009-04-26
Setup Date: 2009-03-24 Date: 2009-04-26
Setup Temp: 4 Date: 2009-04-26
Crystal Conditions: GNF4 Date: 2009-04-26
Drop Volume (nl): 200.0 Date: 2009-04-26
Precipitate Volume (nl): 200 Date: 2009-04-26
Reservoir Volume (ul): 50.0 Date: 2009-04-26

STAGE: Crystal Hit

Plate: 75817 (G0043559) Cell: F05 Date: 2009-03-24 Status: Success Previous Location: Plate: 75817 (G0043559) Cell: XT

Setup Date: 2009-03-24 Date: 2009-05-16
Screen Date: 2009-04-21 Date: 2009-05-16
Screen Conditions: GNF1 F05: 0.2000M MgCl2, 20.0000% PEG-3350, No Buffer pH 5.8 Date: 2009-05-16
Crystal Classification: PROBABLY HARVESTABLE Date: 2009-05-16

STAGE: SDC Receiving

Dewar: 76931 (Mars-04/22/2009) Cassette: SSRL 00322 (SSRL 00322Mars-04/22/2009) Cell: F4 Date: 2009-04-22 Status: Success Previous Location: Plate: 75817 (G0043559) Cell: F05

Shipment ID: 2032 Date: 2009-04-22

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-04-22
Crystal Comments: oval Date: 2009-04-22
Ship Date: 2009-04-22 Date: 2009-04-22
Crystal Id: 120357 Date: 2009-04-22
Pin Position: 823 Date: 2009-04-22
Ship Position: SSRL 00322 Date: 2009-04-22
Mount Date: 2009-04-21 Date: 2009-04-22

Dewar: 76931 (Mars-04/22/2009) Cassette: SSRL 00322 (SSRL 00322Mars-04/22/2009) Cell: F5 Date: 2009-04-22 Status: Success Previous Location: Plate: 75817 (G0043559) Cell: F05

Shipment ID: 2032 Date: 2009-04-22

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-04-22
Crystal Comments: oval Date: 2009-04-22
Ship Date: 2009-04-22 Date: 2009-04-22
Crystal Id: 120358 Date: 2009-04-22
Pin Position: 551 Date: 2009-04-22
Ship Position: SSRL 00322 Date: 2009-04-22
Stop Flag: 0 Date: 2009-08-27
SDC Stage: 2900 Date: 2009-09-22
Mount Date: 2009-04-21 Date: 2009-04-22

Dewar: 76931 (Mars-04/22/2009) Cassette: SSRL 00322 (SSRL 00322Mars-04/22/2009) Cell: F6 Date: 2009-04-22 Status: Success Previous Location: Plate: 75817 (G0043559) Cell: F05

Shipment ID: 2032 Date: 2009-04-22

Cryo Conditions: 10.00% Ethylene-Glycol Date: 2009-04-22
Crystal Comments: oval Date: 2009-04-22
Ship Date: 2009-04-22 Date: 2009-04-22
Crystal Id: 120359 Date: 2009-04-22
Pin Position: 585 Date: 2009-04-22
Ship Position: SSRL 00322 Date: 2009-04-22
Mount Date: 2009-04-21 Date: 2009-04-22

STAGE: Screening

Dewar: 76931 (Mars-04/22/2009) Cassette: SSRL 00322 (SSRL 00322Mars-04/22/2009) Cell: F4 Date: 2009-04-25 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090408/screening/cassette322/PX9961L Date: 2010-01-26
Xtal Quality: 7 Date: 2010-01-26
Ice Rings: 0 Date: 2010-01-26
Diffraction Quality: 10 Date: 2010-01-26
Single Xtal: 1 Date: 2010-01-26
Spot Shape: 7 Date: 2010-01-26
Maximum Resolution: 2.1 Date: 2010-01-26
Unit Cell Length: 64,64,267 Date: 2010-01-26
Unit Cell Angles: 90,90,90 Date: 2010-01-26
Beamline: SSRL BL1-5 Date: 2010-01-26
Space Group: P4 Date: 2010-01-26
Robot Y or N: 1 Date: 2010-01-26
Screen Date: 2009-04-25 Date: 2010-01-26
Freezing: CLEAR Date: 2010-01-26
Loop: OK Date: 2010-01-26
Crystal Condition: CND Date: 2010-01-26
Comments: crystal lost on 2009/07/20 Date: 2010-01-26

Dewar: 76931 (Mars-04/22/2009) Cassette: SSRL 00322 (SSRL 00322Mars-04/22/2009) Cell: F5 Date: 2009-04-25 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090408/screening/cassette322/PX9961L Date: 2010-01-26
Xtal Quality: 9 Date: 2010-01-26
Ice Rings: 0 Date: 2010-01-26
Diffraction Quality: 10 Date: 2010-01-26
Single Xtal: 1 Date: 2010-01-26
Spot Shape: 8 Date: 2010-01-26
Maximum Resolution: 1.9 Date: 2010-01-26
Unit Cell Length: 64,64,267 Date: 2010-01-26
Unit Cell Angles: 90,90,90 Date: 2010-01-26
Beamline: SSRL BL1-5 Date: 2010-01-26
Space Group: P4 Date: 2010-01-26
Robot Y or N: 1 Date: 2010-01-26
Screen Date: 2009-04-25 Date: 2010-01-26
Freezing: CLEAR Date: 2010-01-26
Loop: OK Date: 2010-01-26
Crystal Condition: CND Date: 2010-01-26
Comments: crystal lost on 2009/07/20 Date: 2010-01-26

Dewar: 76931 (Mars-04/22/2009) Cassette: SSRL 00322 (SSRL 00322Mars-04/22/2009) Cell: F6 Date: 2009-04-25 Status: Success

Image Directory: /data/jcsg/ssrl4/1_5/20090408/screening/cassette322/PX9961L Date: 2009-04-30
Xtal Quality: 4 Date: 2009-04-30
Ice Rings: 0 Date: 2009-04-30
Diffraction Quality: 10 Date: 2009-04-30
Single Xtal: 0 Date: 2009-04-30
Spot Shape: 7 Date: 2009-04-30
Maximum Resolution: 2.1 Date: 2009-04-30
Beamline: SSRL BL1-5 Date: 2009-04-30
Robot Y or N: 1 Date: 2009-04-30
Screen Date: 2009-04-25 Date: 2009-04-30
Freezing: CLEAR Date: 2009-04-30
Loop: OK Date: 2009-04-30
Crystal Condition: CND Date: 2009-04-30

STAGE: Data Collection

Collection: 78390 Cell: 1 Date: 2009-05-15 Status: Success Previous Location: Dewar: 76931 (Mars-04/22/2009) Cassette: SSRL 00322 (SSRL 00322Mars-04/22/2009) Cell: F5

CollectData.xml: CollectData.xml Date: 2009-05-25
Beamline.xml: beamline.xml Date: 2009-05-25
Notes file: notes.txt Date: 2009-05-25
Beamline: BL9-2 Date: 2009-05-25
ExperimentType: X-Ray Date: 2009-05-25
Program name: Blu-Ice Date: 2009-05-25
Program version: 4.0 Date: 2009-05-25
Synchrotron: SSRL Date: 2009-05-25
Detector name: MAR325 Date: 2009-05-25
Detector type: CCD Date: 2009-05-25
Detector serial: 11 Date: 2009-05-25
Detector manufacturer: MAR Date: 2009-05-25
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-2.html Date: 2009-05-25
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: 2009-05-25
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2009-05-25
DC Date: 2009-05-15 Date: 2009-05-25
Performed By: Debanu Date: 2009-05-25
Temperature (K): 100 Date: 2009-05-25
Beamline: BL9-2 Date: 2009-05-25
ImageDirectory: /data/jcsg/ssrl4/9_2/20090513/collection/PX9961L/120358/ Date: 2009-05-25
Description: l1s1 Date: 2009-05-25
Wavelength: 0.97936 Date: 2009-05-25
Anomalous fprimv: -10.96 Date: 2009-05-25
Anomalous fprprv: 3.51 Date: 2009-05-25
DetectorMode: undefined Date: 2009-05-25
Distance: 300.00 Date: 2009-05-25
BeamCenter X: 162.5 Date: 2009-05-25
BeamCenter Y: 162.5 Date: 2009-05-25
ImagePrefix: 120358_1_E1 Date: 2009-05-25
ImageSuffix: mccd Date: 2009-05-25
PhiDelta: 0.50 Date: 2009-05-25
PhiStart: 45.00 Date: 2009-05-25
FrameNumber start: 1 Date: 2009-05-25
FrameNumber end: 180 Date: 2009-05-25

Collection: 78390 Cell: 2 Date: 2009-05-15 Status: Success Previous Location: Dewar: 76931 (Mars-04/22/2009) Cassette: SSRL 00322 (SSRL 00322Mars-04/22/2009) Cell: F5

CollectData.xml: CollectData.xml Date: 2009-05-25
Beamline.xml: beamline.xml Date: 2009-05-25
Notes file: notes.txt Date: 2009-05-25
Beamline: BL9-2 Date: 2009-05-25
ExperimentType: X-Ray Date: 2009-05-25
Program name: Blu-Ice Date: 2009-05-25
Program version: 4.0 Date: 2009-05-25
Synchrotron: SSRL Date: 2009-05-25
Detector name: MAR325 Date: 2009-05-25
Detector type: CCD Date: 2009-05-25
Detector serial: 11 Date: 2009-05-25
Detector manufacturer: MAR Date: 2009-05-25
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-2.html Date: 2009-05-25
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: 2009-05-25
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2009-05-25
DC Date: 2009-05-15 Date: 2009-05-25
Performed By: Debanu Date: 2009-05-25
Temperature (K): 100 Date: 2009-05-25
Beamline: BL9-2 Date: 2009-05-25
ImageDirectory: /data/jcsg/ssrl4/9_2/20090513/collection/PX9961L/120358/ Date: 2009-05-25
Description: l2s1 Date: 2009-05-25
Wavelength: 0.91162 Date: 2009-05-25
Anomalous fprimv: -1.70 Date: 2009-05-25
Anomalous fprprv: 3.30 Date: 2009-05-25
DetectorMode: undefined Date: 2009-05-25
Distance: 300.00 Date: 2009-05-25
BeamCenter X: 162.5 Date: 2009-05-25
BeamCenter Y: 162.5 Date: 2009-05-25
ImagePrefix: 120358_1_E2 Date: 2009-05-25
ImageSuffix: mccd Date: 2009-05-25
PhiDelta: 0.50 Date: 2009-05-25
PhiStart: 45.00 Date: 2009-05-25
FrameNumber start: 1 Date: 2009-05-25
FrameNumber end: 180 Date: 2009-05-25

STAGE: Integration

Collection: 78391 Cell: 1 Date: 2009-05-25 Status: Success Previous Location: Collection: 78390 Cell: 1

Integration Log File: integrate.log Date: 2009-05-25
Integration Reflection File: integrate.mtz Date: 2009-05-25
Integration Name: l1i Date: 2009-05-25
Integration Comments: MOSFLM processed. Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
Integration Program: MOSFLM Date: 2009-05-25
Program Version: 7.0.1 Date: 2009-05-25
Integration Date: 2009-05-25 Date: 2009-05-25

Collection: 78391 Cell: 2 Date: 2009-05-25 Status: Success Previous Location: Collection: 78390 Cell: 2

Integration Log File: integrate.log Date: 2009-05-25
Integration Reflection File: integrate.mtz Date: 2009-05-25
Integration Name: l2i Date: 2009-05-25
Integration Comments: MOSFLM processed. Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
Integration Program: MOSFLM Date: 2009-05-25
Program Version: 7.0.1 Date: 2009-05-25
Integration Date: 2009-05-25 Date: 2009-05-25

STAGE: Scaling

Collection: 78392 Cell: 1 Date: 2009-05-25 Status: Success Previous Location: Collection: 78391 Cell: 1

Scale Log File: scale.log Date: 2009-05-25
Scale Reflection File: scale.mtz Date: 2009-05-25
Scale Name: l1s Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
Scaling program: SCALA Date: 2009-05-25
Program Version: 3.2.5 Date: 2009-05-25
Space group: P422 Date: 2009-05-25
Cell A: 63.9169 Date: 2009-05-25
Cell B: 63.9169 Date: 2009-05-25
Cell C: 266.4030 Date: 2009-05-25
Angle Alpha: 90.0000 Date: 2009-05-25
Angle Beta: 90.0000 Date: 2009-05-25
Angle Gamma: 90.0000 Date: 2009-05-25
High resolution overall: 2.00 Date: 2009-05-25
Low resolution overall: 50.00 Date: 2009-05-25
Completeness overall: 100.0 Date: 2009-05-25
Redundancy overall: 7.1 Date: 2009-05-25
Rsym(I) overall: 0.084 Date: 2009-05-25
I/sigma(I) overall: 15.5 Date: 2009-05-25
High resolution limit for highest resolution shell: 2.00 Date: 2009-05-25
Low resolution limit for highest resolution shell: 2.05 Date: 2009-05-25
Completeness shell: 100.0 Date: 2009-05-25
Redundancy shell: 7.2 Date: 2009-05-25
Rsym(I) shell: 0.708 Date: 2009-05-25
I/sigma(I) shell: 2.1 Date: 2009-05-25
Observed reflections overall: 274418 Date: 2009-05-25
Unmerged HKL File: nomerge.sca Date: 2009-05-25
Scaling Date: 2009-05-25 Date: 2009-05-25
Number of reflections: 274418 Date: 2009-05-25

Collection: 78392 Cell: 2 Date: 2009-05-25 Status: Success Previous Location: Collection: 78391 Cell: 2

Scale Log File: scale.log Date: 2009-05-25
Scale Reflection File: scale.mtz Date: 2009-05-25
Scale Name: l2s Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
Scaling program: SCALA Date: 2009-05-25
Program Version: 3.2.5 Date: 2009-05-25
Space group: P422 Date: 2009-05-25
Cell A: 63.9285 Date: 2009-05-25
Cell B: 63.9285 Date: 2009-05-25
Cell C: 266.3977 Date: 2009-05-25
Angle Alpha: 90.0000 Date: 2009-05-25
Angle Beta: 90.0000 Date: 2009-05-25
Angle Gamma: 90.0000 Date: 2009-05-25
High resolution overall: 2.00 Date: 2009-05-25
Low resolution overall: 50.00 Date: 2009-05-25
Completeness overall: 100.0 Date: 2009-05-25
Redundancy overall: 7.1 Date: 2009-05-25
Rsym(I) overall: 0.075 Date: 2009-05-25
I/sigma(I) overall: 16.8 Date: 2009-05-25
High resolution limit for highest resolution shell: 2.00 Date: 2009-05-25
Low resolution limit for highest resolution shell: 2.05 Date: 2009-05-25
Completeness shell: 100.0 Date: 2009-05-25
Redundancy shell: 7.3 Date: 2009-05-25
Rsym(I) shell: 0.643 Date: 2009-05-25
I/sigma(I) shell: 2.5 Date: 2009-05-25
Observed reflections overall: 276131 Date: 2009-05-25
Unmerged HKL File: nomerge.sca Date: 2009-05-25
Scaling Date: 2009-05-25 Date: 2009-05-25
Number of reflections: 276131 Date: 2009-05-25

STAGE: Truncating

Collection: 78393 Cell: 1 Date: 2009-05-25 Status: Success Previous Location: Collection: 78392 Cell: 1

Truncate Name: l1t Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
Truncate Log File: truncate.log Date: 2009-05-25
Truncate Reflection File: truncate.mtz Date: 2009-05-25
truncate program version: 5.0 Date: 2009-05-25
Unique reflections overall: 618848 Date: 2009-05-25
Wilson_Bfact: 33.475 Date: 2009-05-25
Truncate Date: 2009-05-25 Date: 2009-05-25
Cell A: 63.9169 Date: 2009-05-25
Cell B: 63.9169 Date: 2009-05-25
Cell C: 266.4030 Date: 2009-05-25
Angle Alpha: 90.0000 Date: 2009-05-25
Angle Beta: 90.0000 Date: 2009-05-25
Angle Gamma: 90.0000 Date: 2009-05-25
Unique Reflections: 38679 Date: 2009-05-25
Resolution Range Low: 29.111 Date: 2009-05-25
Resolution Range High: 2.000 Date: 2009-05-25

Collection: 78393 Cell: 2 Date: 2009-05-25 Status: Success Previous Location: Collection: 78392 Cell: 2

Truncate Name: l2t Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
Truncate Log File: truncate.log Date: 2009-05-25
Truncate Reflection File: truncate.mtz Date: 2009-05-25
truncate program version: 5.0 Date: 2009-05-25
Unique reflections overall: 619040 Date: 2009-05-25
Wilson_Bfact: 32.570 Date: 2009-05-25
Truncate Date: 2009-05-25 Date: 2009-05-25
Cell A: 63.9285 Date: 2009-05-25
Cell B: 63.9285 Date: 2009-05-25
Cell C: 266.3977 Date: 2009-05-25
Angle Alpha: 90.0000 Date: 2009-05-25
Angle Beta: 90.0000 Date: 2009-05-25
Angle Gamma: 90.0000 Date: 2009-05-25
Unique Reflections: 38690 Date: 2009-05-25
Resolution Range Low: 29.111 Date: 2009-05-25
Resolution Range High: 2.000 Date: 2009-05-25

STAGE: Phasing

Collection: 78394 Cell: 1 Date: 2009-05-25 Status: Success Previous Location: Collection: 78393 Cell: 1 Collection: 78393 Cell: 2

Name of phasing run: l12p Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
Phasing Comments: SHELXD-SHARP Date: 2009-05-25
Phasing reflection file: eden-unique.mtz Date: 2009-05-25
Phasing PRT log: ha.pdb Date: 2009-05-25
Phasing log file: sharp_log.mmcif Date: 2009-05-25
Solution Type: MAD Date: 2009-05-25
Reference Wavelength: 0.97936 Date: 2009-05-25
Phasing Date: 2009-05-25 Date: 2009-05-25

STAGE: Density Modification

Collection: 78395 Cell: 1 Date: 2009-05-25 Status: Success Previous Location: Collection: 78393 Cell: 2 Collection: 78394 Cell: 1

Name of DM run: l12dm Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
DM reflection file: solomon.mtz Date: 2009-05-25
DM log file: solomon_log.html Date: 2009-05-25
DM Date: 2009-05-25 Date: 2009-05-25

STAGE: Tracing

Collection: 78396 Cell: 1 Date: 2009-05-25 Status: Solved Structure Previous Location: Collection: 78393 Cell: 2 Collection: 78395 Cell: 1 Collection: 78394 Cell: 1

Name of tracing run: l12tr Date: 2009-05-25
Performed By: 2912 Date: 2009-05-25
Tracing Comments: 1 mol/asu, 93.8% traced (467/498) Files uploaded from: /data/jcsg/xtal_process5/PX9961L/120358/try1/model_resolve_sharp/p41212/nmol1/lambda12/resolve_best.pdb Date: 2009-05-25
Tracing program: RESOLVE Date: 2009-05-25
Tracing log file: resolve_best.log Date: 2009-05-25
Tracing reflection file: resolve_best.mtz Date: 2009-05-25
Tracing PDB: resolve_best.pdb Date: 2009-05-25
Tracing Program Version: 2.03 Date: 2009-05-25
Tracing Date: 2009-05-25 Date: 2009-05-25

STAGE: Refining

Collection: 81313 Cell: 1 Date: 2009-07-30 Status: Success Previous Location: Collection: 78396 Cell: 1 Collection: 78393 Cell: 2 Collection: 78395 Cell: 1 Collection: 78394 Cell: 1

Name of refinement run: ref1 Date: 2009-07-30
Performed By: 2793 Date: 2009-07-30
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2009-07-30
RESOLUTION RANGE HIGH:: 2.00 Date: 2009-07-30
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2009-07-30
COMPLETENESS (WORKING+TEST) (%) :: 99.93 Date: 2009-07-30
NUMBER OF REFLECTIONS :: 36655 Date: 2009-07-30
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2009-07-30
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2009-07-30
R VALUE (WORKING SET) :: 0.17410 Date: 2009-07-30
FREE R VALUE :: 0.19866 Date: 2009-07-30
FREE R VALUE TEST SET SIZE (%) :: 5.0 Date: 2009-07-30
FREE R VALUE TEST SET COUNT :: 1931 Date: 2009-07-30
TOTAL NUMBER OF BINS USED :: 20 Date: 2009-07-30
BIN RESOLUTION RANGE HIGH (A) :: 2.000 Date: 2009-07-30
BIN RESOLUTION RANGE LOW (A) :: 2.052 Date: 2009-07-30
REFLECTIONS IN BIN (WORKING SET) :: 2644 Date: 2009-07-30
BIN R VALUE (WORKING SET) :: 0.254 Date: 2009-07-30
BIN FREE R VALUE :: 0.268 Date: 2009-07-30
BIN FREE R VALUE TEST SET COUNT :: 138 Date: 2009-07-30
MEAN B VALUE (OVERALL, A**2) :: 22.363 Date: 2009-07-30
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: 1.52 Date: 2009-07-30
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: 1.52 Date: 2009-07-30
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -3.04 Date: 2009-07-30
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2009-07-30
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2009-07-30
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2009-07-30
SPACE GROUP: P41212 Date: 2009-07-30
MAIN-CHAIN ANGLE RMS (A**2) :: 1.541 Date: 2009-07-30
BOND LENGTHS RMS DEVIATIONS (A) :: 0.017 Date: 2009-07-30
Refinement Log: submitted1.log Date: 2009-07-30
Reflection File: submitted1.mtz Date: 2009-07-30
PDB file: submitted1.pdb Date: 2009-07-30
Program: REFMAC Date: 2009-07-30
Version: 5.5.0053 Date: 2009-07-30
Cell A: 63.929 Date: 2009-07-30
Cell B: 63.929 Date: 2009-07-30
Cell C: 266.398 Date: 2009-07-30
Angle Alpha: 90.00 Date: 2009-07-30
Angle Beta: 90.00 Date: 2009-07-30
Angle Gamma: 90.00 Date: 2009-07-30
ALL ATOMS: 4174 Date: 2009-07-30
ESU BASED ON R VALUE: 0.162 Date: 2009-07-30
ESU BASED ON FREE R VALUE: 0.136 Date: 2009-07-30
ESU BASED ON MAXIMUM LIKELIHOOD: 0.110 Date: 2009-07-30
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 9.106 Date: 2009-07-30
CORRELATION COEFFICIENT FO-FC: 0.967 Date: 2009-07-30
CORRELATION COEFFICIENT FO-FC FREE: 0.961 Date: 2009-07-30
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 3987 Date: 2009-07-30
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2009-07-30
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.935 Date: 2009-07-30
CHIRAL-CENTER RESTRAINTS RMS: 0.095 Date: 2009-07-30
TORSION ANGLES, PERIOD COUNT: 497::209::635::24 Date: 2009-07-30
TORSION ANGLES, PERIOD RMS: 6.272::37.475::14.350::8.108 Date: 2009-07-30
TORSION ANGLES, PERIOD WEIGHT: 5.000::24.593::15.000::15.000 Date: 2009-07-30
CHIRAL-CENTER RESTRAINTS COUNT: 572 Date: 2009-07-30
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2009-07-30
GENERAL PLANES REFINED ATOMS COUNT: 4565 Date: 2009-07-30
GENERAL PLANES REFINED ATOMS RMS: 0.007 Date: 2009-07-30
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2009-07-30
MAIN-CHAIN BOND REFINED ATOMS COUNT: 2420 Date: 2009-07-30
MAIN-CHAIN BOND REFINED ATOMS RMS: 0.758 Date: 2009-07-30
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 1.500 Date: 2009-07-30
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 3891 Date: 2009-07-30
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 1.291 Date: 2009-07-30
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 2.000 Date: 2009-07-30
SIDE-CHAIN BOND REFINED ATOMS COUNT: 1567 Date: 2009-07-30
SIDE-CHAIN BOND REFINED ATOMS RMS: 2.213 Date: 2009-07-30
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 3.000 Date: 2009-07-30
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 1535 Date: 2009-07-30
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 3.199 Date: 2009-07-30
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 4.500 Date: 2009-07-30
METHOD USED: BABINET MODEL WITH MASK Date: 2009-07-30
VDW PROBE RADIUS: 1.40 Date: 2009-07-30
ION PROBE RADIUS: 0.80 Date: 2009-07-30
SHRINKAGE RADIUS: 0.80 Date: 2009-07-30
Refinement Date : 2009-07-30 Date: 2009-07-30
Refinement Technical Note: qc_check1.html Date: 2009-07-30
Structure Refinement Summary: refine_summary1.txt Date: 2009-07-30

Collection: 81313 Cell: 2 Date: 2009-08-27 Status: Success Previous Location: Collection: 78396 Cell: 1 Collection: 78393 Cell: 2 Collection: 78395 Cell: 1 Collection: 78394 Cell: 1 Collection: 81313 Cell: 1

Name of refinement run: ref2 Date: 2009-08-27
Performed By: 2793 Date: 2009-08-27
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2009-08-27
RESOLUTION RANGE HIGH:: 2.00 Date: 2009-08-27
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2009-08-27
COMPLETENESS (WORKING+TEST) (%) :: 99.93 Date: 2009-08-27
NUMBER OF REFLECTIONS :: 36655 Date: 2009-08-27
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2009-08-27
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2009-08-27
R VALUE (WORKING SET) :: 0.17759 Date: 2009-08-27
FREE R VALUE :: 0.19820 Date: 2009-08-27
FREE R VALUE TEST SET SIZE (%) :: 5.0 Date: 2009-08-27
FREE R VALUE TEST SET COUNT :: 1931 Date: 2009-08-27
TOTAL NUMBER OF BINS USED :: 20 Date: 2009-08-27
BIN RESOLUTION RANGE HIGH (A) :: 2.000 Date: 2009-08-27
BIN RESOLUTION RANGE LOW (A) :: 2.052 Date: 2009-08-27
REFLECTIONS IN BIN (WORKING SET) :: 2644 Date: 2009-08-27
BIN R VALUE (WORKING SET) :: 0.259 Date: 2009-08-27
BIN FREE R VALUE :: 0.256 Date: 2009-08-27
BIN FREE R VALUE TEST SET COUNT :: 138 Date: 2009-08-27
MEAN B VALUE (OVERALL, A**2) :: 25.835 Date: 2009-08-27
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: 1.33 Date: 2009-08-27
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: 1.33 Date: 2009-08-27
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: -2.66 Date: 2009-08-27
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2009-08-27
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2009-08-27
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2009-08-27
SPACE GROUP: P41212 Date: 2009-08-27
MAIN-CHAIN ANGLE RMS (A**2) :: 1.476 Date: 2009-08-27
BOND LENGTHS RMS DEVIATIONS (A) :: 0.016 Date: 2009-08-27
Refinement Log: submitted2.log Date: 2009-08-27
Reflection File: submitted2.mtz Date: 2009-08-27
PDB file: submitted2.pdb Date: 2009-08-27
Program: REFMAC Date: 2009-08-27
Version: 5.5.0053 Date: 2009-08-27
Cell A: 63.929 Date: 2009-08-27
Cell B: 63.929 Date: 2009-08-27
Cell C: 266.398 Date: 2009-08-27
Angle Alpha: 90.00 Date: 2009-08-27
Angle Beta: 90.00 Date: 2009-08-27
Angle Gamma: 90.00 Date: 2009-08-27
ALL ATOMS: 4161 Date: 2009-08-27
ESU BASED ON R VALUE: 0.165 Date: 2009-08-27
ESU BASED ON FREE R VALUE: 0.136 Date: 2009-08-27
ESU BASED ON MAXIMUM LIKELIHOOD: 0.107 Date: 2009-08-27
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 8.817 Date: 2009-08-27
CORRELATION COEFFICIENT FO-FC: 0.965 Date: 2009-08-27
CORRELATION COEFFICIENT FO-FC FREE: 0.961 Date: 2009-08-27
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 4001 Date: 2009-08-27
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2009-08-27
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.935 Date: 2009-08-27
CHIRAL-CENTER RESTRAINTS RMS: 0.093 Date: 2009-08-27
TORSION ANGLES, PERIOD COUNT: 505::214::645::24 Date: 2009-08-27
TORSION ANGLES, PERIOD RMS: 6.145::37.632::14.618::8.307 Date: 2009-08-27
TORSION ANGLES, PERIOD WEIGHT: 5.000::24.766::15.000::15.000 Date: 2009-08-27
CHIRAL-CENTER RESTRAINTS COUNT: 575 Date: 2009-08-27
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2009-08-27
GENERAL PLANES REFINED ATOMS COUNT: 4593 Date: 2009-08-27
GENERAL PLANES REFINED ATOMS RMS: 0.007 Date: 2009-08-27
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2009-08-27
MAIN-CHAIN BOND REFINED ATOMS COUNT: 2422 Date: 2009-08-27
MAIN-CHAIN BOND REFINED ATOMS RMS: 0.724 Date: 2009-08-27
MAIN-CHAIN BOND REFINED ATOMS WEIGHT: 1.500 Date: 2009-08-27
MAIN-CHAIN ANGLE REFINED ATOMS COUNT: 3902 Date: 2009-08-27
MAIN-CHAIN ANGLE REFINED ATOMS RMS: 1.250 Date: 2009-08-27
MAIN-CHAIN ANGLE REFINED ATOMS WEIGHT: 2.000 Date: 2009-08-27
SIDE-CHAIN BOND REFINED ATOMS COUNT: 1579 Date: 2009-08-27
SIDE-CHAIN BOND REFINED ATOMS RMS: 2.046 Date: 2009-08-27
SIDE-CHAIN BOND REFINED ATOMS WEIGHT: 3.000 Date: 2009-08-27
SIDE-CHAIN ANGLE REFINED ATOMS COUNT: 1543 Date: 2009-08-27
SIDE-CHAIN ANGLE REFINED ATOMS RMS: 3.059 Date: 2009-08-27
SIDE-CHAIN ANGLE REFINED ATOMS WEIGHT: 4.500 Date: 2009-08-27
METHOD USED: BABINET MODEL WITH MASK Date: 2009-08-27
VDW PROBE RADIUS: 1.40 Date: 2009-08-27
ION PROBE RADIUS: 0.80 Date: 2009-08-27
SHRINKAGE RADIUS: 0.80 Date: 2009-08-27
Refinement Date : 2009-08-27 Date: 2009-08-27
Refinement Technical Note: qc_check2.html Date: 2009-08-27
Structure Refinement Summary: refine_summary2.txt Date: 2009-08-27
Matthews Coef: 2.42 Date: 2010-03-14
Solvent Percentage: 49.11 Date: 2010-03-14

STAGE: QC

Collection: 81887 Cell: 1 Date: 2009-08-24 Status: QC Return Previous Location: Collection: 81313 Cell: 1

Performed By: 3236 Date: 2009-08-24
QC Log: PX9961L_120358_qc_1.txt Date: 2009-08-24
QC Date: 2009-08-24 Date: 2009-08-24
QC Set Name: PX9961L_120358_1 Date: 2009-08-24

Collection: 81887 Cell: 2 Date: 2009-08-27 Status: Success Previous Location: Collection: 81313 Cell: 2

QC Comments: ready for PDB Date: 2009-08-27
Performed By: 3236 Date: 2009-08-27
QC Date: 2009-08-27 Date: 2009-08-27
QC Set Name: PX9961L_120358_2 Date: 2009-08-27

STAGE: Validation

Collection: 81903 Cell: 1 Date: 2009-09-22 Status: Success Previous Location: Collection: 81887 Cell: 2

STAGE: PDB Deposition

Collection: 83314 Cell: 1 Date: 2009-09-22 Status: Success Previous Location: Collection: 81903 Cell: 1

PDB ID: 3jys Date: 2009-09-22
RCSB ID: rcsb055329 Date: 2009-09-22
PDB File: px9961l.pdb Date: 2009-09-22
Coordinate mmCIF File: px9961l_coor.mmCIF.gz Date: 2009-09-22
Structure factor mmCIF File: px9961l_sf.mmCIF.gz Date: 2009-09-22
Deposition Date: 2009-09-22 Date: 2009-09-22


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