JCSG Target History

Target ID:	394678
Target Name:	GS12873A		Protein Accession:	YP_001303944.1		Local Accession:	GS12873A		cDNA Accession:	REF\|NC_009615.1\|:C3081219-3080008		PSCA	PDB:4ecg

Target ID:

394678

Target Name:

GS12873A

Protein Accession:

YP_001303944.1

Local Accession:

GS12873A

cDNA Accession:

REF|NC_009615.1|:C3081219-3080008

PSCA

PDB:4ecg

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

Micro Expression

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

Micro Expression

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 iron-regulated protein A precursor, putative metalloendopeptidase, cytoplasmic membrane protein, Imelysin-like protein

Start Position:

End Position:

403

GNF Target Alias:

PB1:SpeedET-GS12873A-pdi-403-24-403

Sequence Type:

SEGMENT

Residues:

380

DNA Length:

1140

Molecular Weight:

41313.47

Isoelectric Point:

4.32

Epsilon 280:

56380

Gravy Index:

-0.41

Species:

P.distasonis ATCC 8503

Activated:

Alanine Absolute:

Alanine Relative:

0.0974

Arginine Absolute:

Arginine Relative:

0.0184

Asparagine Absolute:

Asparagine Relative:

0.0711

Aspartic Acid Absolute:

Aspartic Acid Relative:

0.1000

Cysteine Absolute:

Cysteine Relative:

0.0053

Glutamic Acid Absolute:

Glutamic Acid Relative:

0.0632

Glutamine Absolute:

Glutamine Relative:

0.0184

Glycine Absolute:

Glycine Relative:

0.0711

Histidine Absolute:

Histidine Relative:

0.0105

Isoleucine Absolute:

Isoleucine Relative:

0.0447

Leucine Absolute:

Leucine Relative:

0.0842

Lysine Absolute:

Lysine Relative:

0.0632

Methionine Absolute:

Methionine Relative:

0.0263

Phenylalanine Absolute:

Phenylalanine Relative:

0.0316

Proline Absolute:

Proline Relative:

0.0447

Serine Absolute:

Serine Relative:

0.0789

Threonine Absolute:

Threonine Relative:

0.0605

Tryptophan Absolute:

Tryptophan Relative:

0.0184

Tyrosine Absolute:

Tyrosine Relative:

0.0316

Valine Absolute:

Valine Relative:

0.0605

Project:

GNF Autogenerated

Selection Date:

2007-09-11

PFAM:

submit

Proposal	Relationship	Owner	Lab Name
64	JCSG	GNF	Genomics Institute of the Novartis Research Foundation

STAGE: Proposed Target

Plate: 0 Cell: 394678 Date: 2007-09-11 Status: Success

STAGE: Active Target

Plate: 63247 Cell: C11 Date: 2008-06-04 Status: Success Previous Location: Plate: 0 Cell: 394678

Sample Name: HK100:SpeedET-GS12873A-pdi-403-24-403 Date: 2008-10-19
GNF Project Name: PSI2_GutSecreted(GS) Date: 2008-10-19
GNF Program Name: JCSG Date: 2008-10-19

Plate: 96638 Cell: H01 Date: 2011-04-19 Status: Success Previous Location: Plate: 0 Cell: 394678

Sample Name: PB1:SpeedET-GS12873A-pdi-403-24-403 Date: 2011-05-02
GNF Project Name: PSI2_GutSecreted(GS) Date: 2011-05-02
GNF Program Name: JCSG Date: 2011-05-02

STAGE: PCR Testing

Plate: 63247 Cell: C11 Date: 2008-06-04 Status: Success Previous Location: Plate: 63247 Cell: C11
Plate: 96638 Cell: H01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 Cell: H01

STAGE: Amplifer Generation

Plate: 63247 Cell: C11 Date: 2008-06-04 Status: Success Previous Location: Plate: 63247 Cell: C11
Plate: 96638 Cell: H01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 Cell: H01

STAGE: Orientation

Plate: 63247 Cell: C11 Date: 2008-06-04 Status: Success Previous Location: Plate: 63247 Cell: C11
Plate: 96638 Cell: H01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 Cell: H01

STAGE: Plasmid Purification

Plate: 63247 (C-0621) Cell: C11 Date: 2008-06-04 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Clone ID: 46825 Date: 2008-06-07
Strain/Vector: HK100 Date: 2008-10-19
Clone Site: SpeedET Date: 2008-10-19
Cloned Date: 2008-06-04 Date: 2008-10-19

Plate: 96638 (C-0959) Cell: H01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Clone ID: 92634 Date: 2011-05-02
Strain/Vector: PB1 Date: 2011-05-02
Clone Site: SpeedET Date: 2011-05-02
Cloned Date: 2011-04-19 Date: 2011-05-15

STAGE: Micro Expression

Plate: 65442 Cell: C10 Date: 2008-07-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11
Plate: 65442 Cell: C11 Date: 2008-07-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11
Plate: 90838 Cell: H04 Date: 2010-03-08 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

STAGE: Expression

Plate: 63389 (E-1483) Cell: C10 Date: 2008-06-12 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-06-12 Date: 2011-12-12
Protein ID: 138480 Date: 2008-06-17
Media: Native-TB Date: 2008-10-19

Plate: 63389 (E-1483) Cell: G09 Date: 2008-06-12 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-06-12 Date: 2011-12-12
Protein ID: 138527 Date: 2008-06-17
Media: Native-TB Date: 2008-10-19

Plate: 69736 (E-1640) Cell: A03 Date: 2008-10-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-10-29 Date: 2008-12-14
Protein ID: 156645 Date: 2008-10-31
Media: Met-Inhibition Date: 2008-12-14

Plate: 69736 (E-1640) Cell: B03 Date: 2008-10-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-10-29 Date: 2008-12-14
Protein ID: 156657 Date: 2008-10-31
Media: Met-Inhibition Date: 2008-12-14

Plate: 69736 (E-1640) Cell: C03 Date: 2008-10-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-10-29 Date: 2008-12-14
Protein ID: 156669 Date: 2008-10-31
Media: Met-Inhibition Date: 2008-12-14

Plate: 69736 (E-1640) Cell: D03 Date: 2008-10-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-10-29 Date: 2008-12-14
Protein ID: 156681 Date: 2008-10-31
Media: Met-Inhibition Date: 2008-12-14

Plate: 69736 (E-1640) Cell: E03 Date: 2008-10-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-10-29 Date: 2008-12-14
Protein ID: 156693 Date: 2008-10-31
Media: Met-Inhibition Date: 2008-12-14

Plate: 69736 (E-1640) Cell: F03 Date: 2008-10-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-10-29 Date: 2008-12-14
Protein ID: 156705 Date: 2008-10-31
Media: Met-Inhibition Date: 2008-12-14

Plate: 69736 (E-1640) Cell: G03 Date: 2008-10-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-10-29 Date: 2008-12-14
Protein ID: 156717 Date: 2008-10-31
Media: Met-Inhibition Date: 2008-12-14

Plate: 69736 (E-1640) Cell: H03 Date: 2008-10-29 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2008-10-29 Date: 2008-12-14
Protein ID: 156729 Date: 2008-10-31
Media: Met-Inhibition Date: 2008-12-14

Plate: 94411 (E-2141) Cell: B04 Date: 2010-09-27 Status: Success Previous Location: Plate: 63247 (C-0621) Cell: C11

Fermentation Date: 2010-09-27 Date: 2011-05-05
Protein ID: 313220 Date: 2010-09-29
Media: Native-TB Date: 2010-09-29

Plate: 96652 (E-2273) Cell: A01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-04-19 Date: 2011-11-27
Protein ID: 331668 Date: 2011-05-02
Media: Met-Inhibition Date: 2011-05-02

Plate: 96652 (E-2273) Cell: B01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-04-19 Date: 2011-11-27
Protein ID: 331680 Date: 2011-05-02
Media: Met-Inhibition Date: 2011-05-02

Plate: 96652 (E-2273) Cell: C01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-04-19 Date: 2011-11-27
Protein ID: 331692 Date: 2011-05-02
Media: Met-Inhibition Date: 2011-05-02

Plate: 96652 (E-2273) Cell: D01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-04-19 Date: 2011-11-27
Protein ID: 331704 Date: 2011-05-02
Media: Met-Inhibition Date: 2011-05-02

Plate: 96652 (E-2273) Cell: E01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-04-19 Date: 2011-11-27
Protein ID: 331716 Date: 2011-05-02
Media: Met-Inhibition Date: 2011-05-02

Plate: 96652 (E-2273) Cell: F01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-04-19 Date: 2011-11-27
Protein ID: 331728 Date: 2011-05-02
Media: Met-Inhibition Date: 2011-05-02

Plate: 96652 (E-2273) Cell: G01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-04-19 Date: 2011-11-27
Protein ID: 331740 Date: 2011-05-02
Media: Met-Inhibition Date: 2011-05-02

Plate: 96652 (E-2273) Cell: H01 Date: 2011-04-19 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-04-19 Date: 2011-11-27
Protein ID: 331752 Date: 2011-05-02
Media: Met-Inhibition Date: 2011-05-02

Plate: 97178 (E-2291) Cell: A12 Date: 2011-05-11 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-05-11 Date: 2011-08-21
GNFuge Date: 2011-05-24 Date: 2011-08-21
Protein ID: 334271 Date: 2011-05-13
Media: Met-Inhibition Date: 2011-05-13

Plate: 97178 (E-2291) Cell: B12 Date: 2011-05-11 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-05-11 Date: 2011-08-21
GNFuge Date: 2011-05-24 Date: 2011-08-21
Protein ID: 334283 Date: 2011-05-13
Media: Met-Inhibition Date: 2011-05-13

Plate: 97178 (E-2291) Cell: C12 Date: 2011-05-11 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-05-11 Date: 2011-08-21
GNFuge Date: 2011-05-24 Date: 2011-08-21
Protein ID: 334295 Date: 2011-05-13
Media: Met-Inhibition Date: 2011-05-13

Plate: 97178 (E-2291) Cell: D12 Date: 2011-05-11 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-05-11 Date: 2011-08-21
GNFuge Date: 2011-05-24 Date: 2011-08-21
Protein ID: 334307 Date: 2011-05-13
Media: Met-Inhibition Date: 2011-05-13

Plate: 97178 (E-2291) Cell: E12 Date: 2011-05-11 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-05-11 Date: 2011-08-21
GNFuge Date: 2011-05-24 Date: 2011-08-21
Protein ID: 334319 Date: 2011-05-13
Media: Met-Inhibition Date: 2011-05-13

Plate: 97178 (E-2291) Cell: F12 Date: 2011-05-11 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-05-11 Date: 2011-08-21
GNFuge Date: 2011-05-24 Date: 2011-08-21
Protein ID: 334331 Date: 2011-05-13
Media: Met-Inhibition Date: 2011-05-13

Plate: 97178 (E-2291) Cell: G12 Date: 2011-05-11 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-05-11 Date: 2011-08-21
GNFuge Date: 2011-05-24 Date: 2011-08-21
Protein ID: 334343 Date: 2011-05-13
Media: Met-Inhibition Date: 2011-05-13

Plate: 97178 (E-2291) Cell: H12 Date: 2011-05-11 Status: Success Previous Location: Plate: 96638 (C-0959) Cell: H01

Fermentation Date: 2011-05-11 Date: 2011-08-21
GNFuge Date: 2011-05-24 Date: 2011-08-21
Protein ID: 334355 Date: 2011-05-13
Media: Met-Inhibition Date: 2011-05-13

STAGE: Protein Purification

Plate: 63389 (E-1483) Cell: C10 Date: 2008-06-17 Status: Success Previous Location: Plate: 63389 (E-1483) Cell: C10
Plate: 63389 (E-1483) Cell: G09 Date: 2008-06-17 Status: Success Previous Location: Plate: 63389 (E-1483) Cell: G09
Plate: 69736 (E-1640) Cell: A03 Date: 2008-10-31 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: A03

Purified Concentration (mg/mL): 14.1 Date: 2008-12-14

Plate: 69736 (E-1640) Cell: B03 Date: 2008-10-31 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: B03
Plate: 69736 (E-1640) Cell: C03 Date: 2008-10-31 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: C03
Plate: 69736 (E-1640) Cell: D03 Date: 2008-10-31 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: D03
Plate: 69736 (E-1640) Cell: E03 Date: 2008-10-31 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: E03
Plate: 69736 (E-1640) Cell: F03 Date: 2008-10-31 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: F03
Plate: 69736 (E-1640) Cell: G03 Date: 2008-10-31 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: G03
Plate: 69736 (E-1640) Cell: H03 Date: 2008-10-31 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: H03
Plate: 94411 (E-2141) Cell: B04 Date: 2010-09-29 Status: Success Previous Location: Plate: 94411 (E-2141) Cell: B04
Plate: 96652 (E-2273) Cell: A01 Date: 2011-05-02 Status: Success Previous Location: Plate: 96652 (E-2273) Cell: A01

Purified Concentration (mg/mL): 20.0 Date: 2011-05-15

Plate: 96652 (E-2273) Cell: B01 Date: 2011-05-02 Status: Success Previous Location: Plate: 96652 (E-2273) Cell: B01
Plate: 96652 (E-2273) Cell: C01 Date: 2011-05-02 Status: Success Previous Location: Plate: 96652 (E-2273) Cell: C01
Plate: 96652 (E-2273) Cell: D01 Date: 2011-05-02 Status: Success Previous Location: Plate: 96652 (E-2273) Cell: D01
Plate: 96652 (E-2273) Cell: E01 Date: 2011-05-02 Status: Success Previous Location: Plate: 96652 (E-2273) Cell: E01
Plate: 96652 (E-2273) Cell: F01 Date: 2011-05-02 Status: Success Previous Location: Plate: 96652 (E-2273) Cell: F01
Plate: 96652 (E-2273) Cell: G01 Date: 2011-05-02 Status: Success Previous Location: Plate: 96652 (E-2273) Cell: G01
Plate: 96652 (E-2273) Cell: H01 Date: 2011-05-02 Status: Success Previous Location: Plate: 96652 (E-2273) Cell: H01
Plate: 97178 (E-2291) Cell: A12 Date: 2011-05-13 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Purified Concentration (mg/mL): 20.8 Date: 2011-06-05

Plate: 97178 (E-2291) Cell: B12 Date: 2011-05-13 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: B12
Plate: 97178 (E-2291) Cell: C12 Date: 2011-05-13 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: C12
Plate: 97178 (E-2291) Cell: D12 Date: 2011-05-13 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: D12
Plate: 97178 (E-2291) Cell: E12 Date: 2011-05-13 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: E12
Plate: 97178 (E-2291) Cell: F12 Date: 2011-05-13 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: F12
Plate: 97178 (E-2291) Cell: G12 Date: 2011-05-13 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: G12
Plate: 97178 (E-2291) Cell: H12 Date: 2011-05-13 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: H12

STAGE: Crystallization

Plate: 72686 (G0044980) Cell: XT Date: 2009-01-20 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: A03

Screen Type: Sparse Matrix Date: 2009-02-25
Setup Date: 2009-01-20 Date: 2010-11-22
Setup Temp (C): 4 Date: 2009-02-25
Crystal Conditions: GNF1 Date: 2009-02-25
Drop Volume (nl): 200.0 Date: 2009-02-25
Precipitate Volume (nl): 200 Date: 2009-02-25
Reservoir Volume (ul): 50.0 Date: 2009-02-25

Plate: 72687 (G0044999) Cell: XT Date: 2009-01-20 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: A03

Screen Type: Sparse Matrix Date: 2009-02-25
Setup Date: 2009-01-20 Date: 2009-02-25
Setup Temp (C): 4 Date: 2009-02-25
Crystal Conditions: GNF2 Date: 2009-02-25
Drop Volume (nl): 200.0 Date: 2009-02-25
Precipitate Volume (nl): 200 Date: 2009-02-25
Reservoir Volume (ul): 50.0 Date: 2009-02-25

Plate: 72688 (G0044447) Cell: XT Date: 2009-01-20 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: A03

Screen Type: Sparse Matrix Date: 2009-02-25
Setup Date: 2009-01-20 Date: 2009-02-25
Setup Temp (C): 4 Date: 2009-02-25
Crystal Conditions: GNF3 Date: 2009-02-25
Drop Volume (nl): 200.0 Date: 2009-02-25
Precipitate Volume (nl): 200 Date: 2009-02-25
Reservoir Volume (ul): 50.0 Date: 2009-02-25

Plate: 72689 (G0044346) Cell: XT Date: 2009-01-20 Status: Success Previous Location: Plate: 69736 (E-1640) Cell: A03

Screen Type: Sparse Matrix Date: 2009-02-25
Setup Date: 2009-01-20 Date: 2009-02-25
Setup Temp (C): 4 Date: 2009-02-25
Crystal Conditions: GNF4 Date: 2009-02-25
Drop Volume (nl): 200.0 Date: 2009-02-25
Precipitate Volume (nl): 200 Date: 2009-02-25
Reservoir Volume (ul): 50.0 Date: 2009-02-25

Plate: 98480 (S0027896) Cell: XT Date: 2011-07-06 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Screen Type: Sparse Matrix Date: 2011-08-06
Setup Date: 2011-07-06 Date: 2011-08-06
Setup Temp (C): 4 Date: 2011-07-07
Crystal Conditions: The JCSG Core Suite I Date: 2011-08-06
Drop Volume (nl): 200 Date: 2011-08-06
Reservoir Volume (ul): 50 Date: 2011-08-06

Plate: 98481 (S0027897) Cell: XT Date: 2011-07-06 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Screen Type: Sparse Matrix Date: 2011-08-06
Setup Date: 2011-07-06 Date: 2011-08-06
Setup Temp (C): 20 Date: 2011-07-07
Crystal Conditions: The JCSG Core Suite I Date: 2011-08-06
Drop Volume (nl): 200 Date: 2011-08-06
Reservoir Volume (ul): 50 Date: 2011-08-06

Plate: 98482 (S0027898) Cell: XT Date: 2011-07-06 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Screen Type: Sparse Matrix Date: 2011-08-06
Setup Date: 2011-07-06 Date: 2011-08-06
Setup Temp (C): 4 Date: 2011-07-07
Crystal Conditions: The JCSG Core Suite II Date: 2011-08-06
Drop Volume (nl): 200 Date: 2011-08-06
Reservoir Volume (ul): 50 Date: 2011-08-06

Plate: 98483 (S0027899) Cell: XT Date: 2011-07-06 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Screen Type: Sparse Matrix Date: 2011-08-06
Setup Date: 2011-07-06 Date: 2011-08-06
Setup Temp (C): 20 Date: 2011-07-07
Crystal Conditions: The JCSG Core Suite II Date: 2011-08-06
Drop Volume (nl): 200 Date: 2011-08-06
Reservoir Volume (ul): 50 Date: 2011-08-06

Plate: 98484 (S0027901) Cell: XT Date: 2011-07-06 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Screen Type: Sparse Matrix Date: 2011-08-06
Setup Date: 2011-07-06 Date: 2011-08-06
Setup Temp (C): 4 Date: 2011-07-07
Crystal Conditions: The JCSG Core Suite III Date: 2011-08-06
Drop Volume (nl): 200 Date: 2011-08-06
Reservoir Volume (ul): 50 Date: 2011-08-06

Plate: 98485 (S0027902) Cell: XT Date: 2011-07-06 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Screen Type: Sparse Matrix Date: 2011-08-06
Setup Date: 2011-07-06 Date: 2011-08-06
Setup Temp (C): 20 Date: 2011-07-07
Crystal Conditions: The JCSG Core Suite III Date: 2011-08-06
Drop Volume (nl): 200 Date: 2011-08-06
Reservoir Volume (ul): 50 Date: 2011-08-06

Plate: 98486 (S0027904) Cell: XT Date: 2011-07-06 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Screen Type: Sparse Matrix Date: 2011-08-06
Setup Date: 2011-07-06 Date: 2011-08-06
Setup Temp (C): 4 Date: 2011-07-07
Crystal Conditions: The JCSG Core Suite IV Date: 2011-08-06
Drop Volume (nl): 200 Date: 2011-08-06
Reservoir Volume (ul): 50 Date: 2011-08-06

Plate: 98487 (S0027905) Cell: XT Date: 2011-07-06 Status: Success Previous Location: Plate: 97178 (E-2291) Cell: A12

Screen Type: Sparse Matrix Date: 2011-08-06
Setup Date: 2011-07-06 Date: 2011-08-06
Setup Temp (C): 20 Date: 2011-07-07
Crystal Conditions: The JCSG Core Suite IV Date: 2011-08-06
Drop Volume (nl): 200 Date: 2011-08-06
Reservoir Volume (ul): 50 Date: 2011-08-06

STAGE: Crystal Hit

Plate: 72686 (G0044980) Cell: E09 Date: 2009-01-20 Status: Success Previous Location: Plate: 72686 (G0044980) Cell: XT

Setup Date: 2009-01-20 Date: 2009-03-01
Screen Date: 2009-02-03 Date: 2009-03-01
Screen Conditions: GNF1 E09: 0.200M (NH4)2SO4, 20.00% PEG-3350, No Buffer pH 6.0 Date: 2009-03-01
Crystal Classification: CRYSTAL HIT Date: 2009-03-01

Plate: 98482 (S0027898) Cell: B10 Date: 2011-07-06 Status: Success Previous Location: Plate: 98482 (S0027898) Cell: XT

Setup Date: 2011-07-06 Date: 2011-08-14
Screen Date: 2011-07-15 Date: 2011-08-14
Screen Conditions: TheJCSGCoreSuiteII B10: 70.00% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 7.5 Date: 2011-08-07
Crystal Classification: CRYSTAL HIT Date: 2011-08-07

Plate: 98484 (S0027901) Cell: G10 Date: 2011-07-06 Status: Success Previous Location: Plate: 98484 (S0027901) Cell: XT

Setup Date: 2011-07-06 Date: 2011-08-14
Screen Date: 2011-07-15 Date: 2011-08-14
Screen Conditions: TheJCSGCoreSuiteIII G10: 30.00% polyethylene glycol 400, 0.100M Cadmium Chloride, 0.1M sodium acetate pH 4.6 Date: 2011-08-07
Crystal Classification: CRYSTAL HIT Date: 2011-08-07

Plate: 98485 (S0027902) Cell: A10 Date: 2011-07-06 Status: Success Previous Location: Plate: 98485 (S0027902) Cell: XT

Setup Date: 2011-07-06 Date: 2011-08-14
Screen Date: 2011-07-15 Date: 2011-08-14
Screen Conditions: TheJCSGCoreSuiteIII A10: 30.00% polyethylene glycol 200, 0.200M ammonium sulfate, 0.1M CAPS pH 10.5 Date: 2011-08-07
Crystal Classification: CRYSTAL HIT Date: 2011-08-07

Plate: 98486 (S0027904) Cell: B04 Date: 2011-07-06 Status: Success Previous Location: Plate: 98486 (S0027904) Cell: XT

Setup Date: 2011-07-06 Date: 2011-09-04
Screen Date: 2011-08-04 Date: 2011-09-04
Screen Conditions: TheJCSGCoreSuiteIV B04: 65.00% 2-methyl-2,4-pentanediol, 0.1M Bicine pH 9.0 Date: 2011-08-07
Crystal Classification: CRYSTAL HIT Date: 2011-08-07

Plate: 98486 (S0027904) Cell: C11 Date: 2011-07-06 Status: Success Previous Location: Plate: 98486 (S0027904) Cell: XT

Setup Date: 2011-07-06 Date: 2011-09-04
Screen Date: 2011-08-04 Date: 2011-09-04
Screen Conditions: TheJCSGCoreSuiteIV C11: 65.00% 2-methyl-2,4-pentanediol, 0.1M TRIS pH 8.0 Date: 2011-08-07
Crystal Classification: CRYSTAL HIT Date: 2011-08-07

Plate: 98486 (S0027904) Cell: E06 Date: 2011-07-06 Status: Success Previous Location: Plate: 98486 (S0027904) Cell: XT

Setup Date: 2011-07-06 Date: 2011-09-04
Screen Date: 2011-08-04 Date: 2011-09-04
Screen Conditions: TheJCSGCoreSuiteIV E06: 40.00% polyethylene glycol 400, 0.200M calcium acetate, 0.1M HEPES pH 7.5 Date: 2011-08-07
Crystal Classification: PROBABLY HARVESTABLE Date: 2011-08-07

STAGE: SDC Receiving

Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I5 Date: 2011-08-17 Status: Success Previous Location: Plate: 98486 (S0027904) Cell: E06

Shipment ID: 2480 Date: 2011-08-17

Crystal Comments: rod Date: 2011-08-17
Ship Date: 2011-08-17 Date: 2011-08-17
Crystal Id: 170257 Date: 2011-08-17
Pin Position: 90 Date: 2011-08-17
Ship Position: SSRL00337 Date: 2011-08-17
Mount Date: 2011-08-16 Date: 2011-08-17

Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I6 Date: 2011-08-17 Status: Success Previous Location: Plate: 98486 (S0027904) Cell: E06

Shipment ID: 2480 Date: 2011-08-17

Crystal Comments: rod Date: 2011-08-17
Ship Date: 2011-08-17 Date: 2011-08-17
Crystal Id: 170258 Date: 2011-08-17
Pin Position: 4205 Date: 2011-08-17
Ship Position: SSRL00337 Date: 2011-08-17
SDC Dewar Alias: SDC1 Date: 2012-03-16
SDC Dewar Position: 17 Date: 2012-03-16
SDC Pin Position: K6 Date: 2012-03-16
Stop Flag: 0 Date: 2012-01-17
SDC Stage: 2900 Date: 2012-03-26
Mount Date: 2011-08-16 Date: 2011-08-17

Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I7 Date: 2011-08-17 Status: Success Previous Location: Plate: 98486 (S0027904) Cell: E06

Shipment ID: 2480 Date: 2011-08-17

Crystal Comments: rod Date: 2011-08-17
Ship Date: 2011-08-17 Date: 2011-08-17
Crystal Id: 170259 Date: 2011-08-17
Pin Position: 7846 Date: 2011-08-17
Ship Position: SSRL00337 Date: 2011-08-17
SDC Dewar Alias: SDC1 Date: 2012-03-16
SDC Dewar Position: 17 Date: 2012-03-16
SDC Pin Position: K7 Date: 2012-03-16
Mount Date: 2011-08-16 Date: 2011-08-17

Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I8 Date: 2011-08-17 Status: Success Previous Location: Plate: 98486 (S0027904) Cell: E06

Shipment ID: 2480 Date: 2011-08-17

Crystal Comments: rod Date: 2011-08-17
Ship Date: 2011-08-17 Date: 2011-08-17
Crystal Id: 170260 Date: 2011-08-17
Pin Position: 7844 Date: 2011-08-17
Ship Position: SSRL00337 Date: 2011-08-17
Mount Date: 2011-08-16 Date: 2011-08-17

STAGE: Screening

Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I5 Date: 2011-08-21 Status: Success

Image Directory: /data/jcsg/ssrl4/micro2/20110818/screening/cassette337/GS12873A /data/jcsg/ssrl5/9_2/20120111/screening/cassette361 Date: 2012-01-16
Xtal Quality: 7 Date: 2011-09-12
Ice Rings: 0 Date: 2011-09-12
Diffraction Quality: 10 Date: 2012-01-16
Single Xtal: 1 Date: 2011-09-12
Spot Shape: 6 Date: 2012-01-16
Maximum Resolution: 2 Date: 2012-01-16
Beamline: SSRL BL9_2 Date: 2012-01-16
Robot Y or N: 1 Date: 2011-09-12
Screen Date: 2011-08-21 Date: 2012-01-16
Freezing: CLEAR Date: 2011-09-12
Loop: OK Date: 2011-09-12
Crystal Condition: CND Date: 2011-09-12

Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I6 Date: 2011-08-21 Status: Success

Image Directory: /data/jcsg/ssrl4/micro2/20110818/screening/cassette337/GS12873A /data/jcsg/ssrl5/9_2/20120111/screening/cassette361 Date: 2012-01-16
Xtal Quality: 8 Date: 2012-01-16
Ice Rings: 0 Date: 2011-09-12
Diffraction Quality: 3 Date: 2012-01-16
Single Xtal: 1 Date: 2011-09-12
Spot Shape: 9 Date: 2011-09-12
Maximum Resolution: 2.3 Date: 2012-01-16
Beamline: SSRL BL9_2 Date: 2012-01-16
Robot Y or N: 1 Date: 2011-09-12
Screen Date: 2011-08-21 Date: 2012-03-16
Freezing: CLEAR Date: 2011-09-12
Loop: OK Date: 2011-09-12
Crystal Condition: CND Date: 2011-09-12

Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I7 Date: 2011-08-21 Status: Success

Image Directory: /data/jcsg/ssrl4/micro2/20110818/screening/cassette337/GS12873A /data/jcsg/ssrl5/9_2/20120111/screening/cassette361 Date: 2012-01-16
Xtal Quality: 7 Date: 2012-01-16
Ice Rings: 0 Date: 2011-09-12
Diffraction Quality: 4 Date: 2011-09-12
Single Xtal: 1 Date: 2011-09-12
Spot Shape: 9 Date: 2011-09-12
Maximum Resolution: 2.7 Date: 2012-01-16
Beamline: SSRL BL9_2 Date: 2012-01-16
Robot Y or N: 1 Date: 2011-09-12
Screen Date: 2011-08-21 Date: 2012-03-16
Freezing: CLEAR Date: 2011-09-12
Loop: OK Date: 2011-09-12
Crystal Condition: CND Date: 2011-09-12

Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I8 Date: 2011-08-21 Status: Success

Image Directory: /data/jcsg/ssrl4/micro2/20110818/screening/cassette337/GS12873A /data/jcsg/ssrl5/9_2/20120111/screening/cassette361 Date: 2012-01-16
Xtal Quality: 7 Date: 2012-01-16
Ice Rings: 0 Date: 2011-09-12
Diffraction Quality: 4 Date: 2011-09-12
Single Xtal: 1 Date: 2011-09-12
Spot Shape: 6 Date: 2012-01-16
Maximum Resolution: 2.7 Date: 2012-01-16
Beamline: SSRL BL9_2 Date: 2012-01-16
Robot Y or N: 1 Date: 2011-09-12
Screen Date: 2011-08-21 Date: 2012-01-16
Freezing: CLEAR Date: 2011-09-12
Loop: OK Date: 2011-09-12
Crystal Condition: CND Date: 2011-09-12

STAGE: Data Collection

Collection: 104508 Cell: 1 Date: 2012-01-13 Status: Success Previous Location: Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I6

CollectData.xml: CollectData.xml Date: 2012-01-17
Beamline.xml: beamline.xml Date: 2012-01-17
Notes file: notes.txt Date: 2012-01-17
Beamline: BL9-2 Date: 2012-01-17
ExperimentType: X-Ray Date: 2012-01-17
Program name: Blu-Ice Date: 2012-01-17
Program version: 5.0 Date: 2012-01-17
Synchrotron: SSRL Date: 2012-01-17
Detector name: MAR325 Date: 2012-01-17
Detector type: CCD Date: 2012-01-17
Detector serial: 11 Date: 2012-01-17
Detector manufacturer: MAR Date: 2012-01-17
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-2.html Date: 2012-01-17
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: 2012-05-21
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2012-05-21
DC Date: 2012-01-13 Date: 2012-01-17
Performed By: Hsiu-Ju (Jessica) Chiu Date: 2012-01-17
Temperature (K): 100 Date: 2012-01-17
Beamline: BL9-2 Date: 2012-01-17
ImageDirectory: /data/jcsg/ssrl5/9_2/20120111/collection/GS12873A/170258/ Date: 2012-01-17
Description: l1s1 Date: 2012-01-17
Wavelength: 0.97949 Date: 2012-01-17
Anomalous fprimv: -10 Date: 2012-01-17
Anomalous fprprv: 2.6 Date: 2012-01-17
DetectorMode: undefined Date: 2012-01-17
Distance: 285.001 Date: 2012-01-17
BeamCenter X: 162.5 Date: 2012-01-17
BeamCenter Y: 162.5 Date: 2012-01-17
ImagePrefix: 170258_1_E1 Date: 2012-01-17
ImageSuffix: mccd Date: 2012-01-17
PhiDelta: 0.50 Date: 2012-01-17
PhiStart: 196.0 Date: 2012-01-17
FrameNumber start: 1 Date: 2012-01-17
FrameNumber end: 200 Date: 2012-01-17
Monochromatic_Laue: M Date: 2012-05-21
Monochromator: double crystal Date: 2012-05-21
Optics: double crystal monochromator Date: 2012-05-21
Denzo Detector Format: ccd unsupported-m325 Date: 2012-05-21
Denzo Detector Format xdispsize: 810 Date: 2012-05-21
Denzo Beamline Parameters: [overload value 65535] [film rotation 90.0] air absorption length 3500 monochromator 0.87 cassette rotx 0.0 roty 0.0 rotz 0.00 radial offset 0.000 angular offset 0.000 Date: 2012-05-21
Denzo XDisp Peaksize: 3 Date: 2012-05-21
XDS Detector Parameters: DETECTOR=CCDCHESS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD=65000 DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 !Half corner is ~1.2, Full CCD 1.4, 1.0 for no corner TRUSTED_REGION=0.0 1.2 NX=4096 NY=4096 QX=0.079346 QY=0.079346 Date: 2012-05-21
XDS Beamline Parameters: POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 INCIDENT_BEAM_DIRECTION=0.0 0.0 1.0 FRACTION_OF_POLARIZATION=0.92 !SSRL ! 0.5 for unpolarized beam AIR=0.001 !Air absorption coefficient of x-rays Date: 2012-05-21
XDS Image Format: DIRECT TIFF Date: 2012-05-21

Collection: 104508 Cell: 2 Date: 2012-01-13 Status: Success Previous Location: Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I6

CollectData.xml: CollectData.xml Date: 2012-01-17
Beamline.xml: beamline.xml Date: 2012-01-17
Notes file: notes.txt Date: 2012-01-17
Beamline: BL9-2 Date: 2012-01-17
ExperimentType: X-Ray Date: 2012-01-17
Program name: Blu-Ice Date: 2012-01-17
Program version: 5.0 Date: 2012-01-17
Synchrotron: SSRL Date: 2012-01-17
Detector name: MAR325 Date: 2012-01-17
Detector type: CCD Date: 2012-01-17
Detector serial: 11 Date: 2012-01-17
Detector manufacturer: MAR Date: 2012-01-17
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-2.html Date: 2012-01-17
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: 2012-05-21
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2012-05-21
DC Date: 2012-01-13 Date: 2012-01-17
Performed By: Hsiu-Ju (Jessica) Chiu Date: 2012-01-17
Temperature (K): 100 Date: 2012-01-17
Beamline: BL9-2 Date: 2012-01-17
ImageDirectory: /data/jcsg/ssrl5/9_2/20120111/collection/GS12873A/170258/ Date: 2012-01-17
Description: l2s1 Date: 2012-01-17
Wavelength: 0.91837 Date: 2012-01-17
Anomalous fprimv: -1.8 Date: 2012-01-17
Anomalous fprprv: 3.4 Date: 2012-01-17
DetectorMode: undefined Date: 2012-01-17
Distance: 285.001 Date: 2012-01-17
BeamCenter X: 162.5 Date: 2012-01-17
BeamCenter Y: 162.5 Date: 2012-01-17
ImagePrefix: 170258_1_E2 Date: 2012-01-17
ImageSuffix: mccd Date: 2012-01-17
PhiDelta: 0.50 Date: 2012-01-17
PhiStart: 196.0 Date: 2012-01-17
FrameNumber start: 1 Date: 2012-01-17
FrameNumber end: 200 Date: 2012-01-17
Monochromatic_Laue: M Date: 2012-05-21
Monochromator: double crystal Date: 2012-05-21
Optics: double crystal monochromator Date: 2012-05-21
Denzo Detector Format: ccd unsupported-m325 Date: 2012-05-21
Denzo Detector Format xdispsize: 810 Date: 2012-05-21
Denzo Beamline Parameters: [overload value 65535] [film rotation 90.0] air absorption length 3500 monochromator 0.87 cassette rotx 0.0 roty 0.0 rotz 0.00 radial offset 0.000 angular offset 0.000 Date: 2012-05-21
Denzo XDisp Peaksize: 3 Date: 2012-05-21
XDS Detector Parameters: DETECTOR=CCDCHESS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD=65000 DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 !Half corner is ~1.2, Full CCD 1.4, 1.0 for no corner TRUSTED_REGION=0.0 1.2 NX=4096 NY=4096 QX=0.079346 QY=0.079346 Date: 2012-05-21
XDS Beamline Parameters: POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 INCIDENT_BEAM_DIRECTION=0.0 0.0 1.0 FRACTION_OF_POLARIZATION=0.92 !SSRL ! 0.5 for unpolarized beam AIR=0.001 !Air absorption coefficient of x-rays Date: 2012-05-21
XDS Image Format: DIRECT TIFF Date: 2012-05-21

Collection: 104508 Cell: 3 Date: 2012-01-13 Status: Success Previous Location: Dewar: 99625 (Capricorn-08/17/2011) Cassette: SSRL00337 (SSRL00337Capricorn-08/17/2011) Cell: I6

CollectData.xml: CollectData.xml Date: 2012-01-17
Beamline.xml: beamline.xml Date: 2012-01-17
Notes file: notes.txt Date: 2012-01-17
Beamline: BL9-2 Date: 2012-01-17
ExperimentType: X-Ray Date: 2012-01-17
Program name: Blu-Ice Date: 2012-01-17
Program version: 5.0 Date: 2012-01-17
Synchrotron: SSRL Date: 2012-01-17
Detector name: MAR325 Date: 2012-01-17
Detector type: CCD Date: 2012-01-17
Detector serial: 11 Date: 2012-01-17
Detector manufacturer: MAR Date: 2012-01-17
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-2.html Date: 2012-01-17
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: 2012-05-21
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2012-05-21
DC Date: 2012-01-13 Date: 2012-01-17
Performed By: Hsiu-Ju (Jessica) Chiu Date: 2012-01-17
Temperature (K): 100 Date: 2012-01-17
Beamline: BL9-2 Date: 2012-01-17
ImageDirectory: /data/jcsg/ssrl5/9_2/20120111/collection/GS12873A/170258/ Date: 2012-01-17
Description: l3s1 Date: 2012-01-17
Wavelength: 0.97927 Date: 2012-01-17
Anomalous fprimv: -7.5 Date: 2012-01-17
Anomalous fprprv: 5 Date: 2012-01-17
DetectorMode: undefined Date: 2012-01-17
Distance: 285.001 Date: 2012-01-17
BeamCenter X: 162.5 Date: 2012-01-17
BeamCenter Y: 162.5 Date: 2012-01-17
ImagePrefix: 170258_2 Date: 2012-01-17
ImageSuffix: mccd Date: 2012-01-17
PhiDelta: 0.50 Date: 2012-01-17
PhiStart: 196.0 Date: 2012-01-17
FrameNumber start: 1 Date: 2012-01-17
FrameNumber end: 180 Date: 2012-01-17
Monochromatic_Laue: M Date: 2012-05-21
Monochromator: double crystal Date: 2012-05-21
Optics: double crystal monochromator Date: 2012-05-21
Denzo Detector Format: ccd unsupported-m325 Date: 2012-05-21
Denzo Detector Format xdispsize: 810 Date: 2012-05-21
Denzo Beamline Parameters: [overload value 65535] [film rotation 90.0] air absorption length 3500 monochromator 0.87 cassette rotx 0.0 roty 0.0 rotz 0.00 radial offset 0.000 angular offset 0.000 Date: 2012-05-21
Denzo XDisp Peaksize: 3 Date: 2012-05-21
XDS Detector Parameters: DETECTOR=CCDCHESS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD=65000 DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 !Half corner is ~1.2, Full CCD 1.4, 1.0 for no corner TRUSTED_REGION=0.0 1.2 NX=4096 NY=4096 QX=0.079346 QY=0.079346 Date: 2012-05-21
XDS Beamline Parameters: POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 INCIDENT_BEAM_DIRECTION=0.0 0.0 1.0 FRACTION_OF_POLARIZATION=0.92 !SSRL ! 0.5 for unpolarized beam AIR=0.001 !Air absorption coefficient of x-rays Date: 2012-05-21
XDS Image Format: DIRECT TIFF Date: 2012-05-21

STAGE: Integration

Collection: 104509 Cell: 1 Date: 2012-01-17 Status: Success Previous Location: Collection: 104508 Cell: 1

Integration Log File: INTEGRATE.LP Date: 2012-01-17
Integration Reflection File: INTEGRATE.HKL Date: 2012-01-17
Integration Name: l1 Date: 2012-01-17
Integration Comments: xds, I4, inflection point Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Integration Program: XDS Date: 2012-01-17
Program Version: December 29, 2011 Date: 2012-01-17
Integration Date: 2012-01-17 Date: 2012-01-17

Collection: 104509 Cell: 2 Date: 2012-01-17 Status: Success Previous Location: Collection: 104508 Cell: 2

Integration Log File: INTEGRATE.LP Date: 2012-01-17
Integration Reflection File: INTEGRATE.HKL Date: 2012-01-17
Integration Name: l2 Date: 2012-01-17
Integration Comments: xds, I4, remote wavelength Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Integration Program: XDS Date: 2012-01-17
Program Version: December 29, 2011 Date: 2012-01-17
Integration Date: 2012-01-17 Date: 2012-01-17

Collection: 104509 Cell: 3 Date: 2012-01-17 Status: Success Previous Location: Collection: 104508 Cell: 3

Integration Log File: INTEGRATE.LP Date: 2012-01-17
Integration Reflection File: INTEGRATE.HKL Date: 2012-01-17
Integration Name: l3 Date: 2012-01-17
Integration Comments: xds, I4, peak wavelength Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Integration Program: XDS Date: 2012-01-17
Program Version: December 29, 2011 Date: 2012-01-17
Integration Date: 2012-01-17 Date: 2012-01-17

STAGE: Scaling

Collection: 104510 Cell: 1 Date: 2012-01-17 Status: Success Previous Location: Collection: 104509 Cell: 1

Scale Log File: XSCALE.LP Date: 2012-01-17
Scale Reflection File: scale.mtz Date: 2012-01-17
Scale Name: l1 Date: 2012-01-17
Scale Comments: xscale, I4, inflection point Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Unmerged HKL File: nomerge.sca Date: 2012-01-17
Scaling Date: 2012-01-17 Date: 2012-01-17

Collection: 104510 Cell: 2 Date: 2012-01-17 Status: Success Previous Location: Collection: 104509 Cell: 2

Scale Log File: XSCALE.LP Date: 2012-01-17
Scale Reflection File: scale.mtz Date: 2012-01-17
Scale Name: l2 Date: 2012-01-17
Scale Comments: xscale, I4, remote wavelength Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Unmerged HKL File: nomerge.sca Date: 2012-01-17
Scaling Date: 2012-01-17 Date: 2012-01-17

Collection: 104510 Cell: 3 Date: 2012-01-17 Status: Success Previous Location: Collection: 104509 Cell: 3

Scale Log File: XSCALE.LP Date: 2012-01-17
Scale Reflection File: scale.mtz Date: 2012-01-17
Scale Name: l3 Date: 2012-01-17
Scale Comments: Xscale, I4, peak wavelength Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Unmerged HKL File: nomerge.sca Date: 2012-01-17
Scaling Date: 2012-01-17 Date: 2012-01-17

STAGE: Truncating

Collection: 104511 Cell: 1 Date: 2012-01-17 Status: Success Previous Location: Collection: 104510 Cell: 1

Truncate Name: l1 Date: 2012-01-17
Truncate Comments: I41, 1 molecule/asu, inflection point Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Truncate Log File: truncate.log Date: 2012-01-17
Truncate Reflection File: truncate.mtz Date: 2012-01-17
truncate program version: 6.2 Date: 2012-01-17
Unique reflections overall: 171096 Date: 2012-01-17
Wilson_Bfact: 51.662 Date: 2012-01-17
Truncate Date: 2012-01-17 Date: 2012-01-17
Cell A: 113.8690 Date: 2012-01-17
Cell B: 113.8690 Date: 2012-01-17
Cell C: 75.2130 Date: 2012-01-17
Angle Alpha: 90.0000 Date: 2012-01-17
Angle Beta: 90.0000 Date: 2012-01-17
Angle Gamma: 90.0000 Date: 2012-01-17
Unique Reflections: 21388 Date: 2012-01-17
Resolution Range Low: 29.119 Date: 2012-01-17
Resolution Range High: 2.299 Date: 2012-01-17

Collection: 104511 Cell: 2 Date: 2012-01-17 Status: Success Previous Location: Collection: 104510 Cell: 2

Truncate Name: l2 Date: 2012-01-17
Truncate Comments: I41, 1 molecule/asu, remote wavelength Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Truncate Log File: truncate.log Date: 2012-01-17
Truncate Reflection File: truncate.mtz Date: 2012-01-17
truncate program version: 6.2 Date: 2012-01-17
Unique reflections overall: 171200 Date: 2012-01-17
Wilson_Bfact: 52.286 Date: 2012-01-17
Truncate Date: 2012-01-17 Date: 2012-01-17
Cell A: 113.8920 Date: 2012-01-17
Cell B: 113.8920 Date: 2012-01-17
Cell C: 75.2190 Date: 2012-01-17
Angle Alpha: 90.0000 Date: 2012-01-17
Angle Beta: 90.0000 Date: 2012-01-17
Angle Gamma: 90.0000 Date: 2012-01-17
Unique Reflections: 21402 Date: 2012-01-17
Resolution Range Low: 29.124 Date: 2012-01-17
Resolution Range High: 2.299 Date: 2012-01-17

Collection: 104511 Cell: 3 Date: 2012-01-17 Status: Success Previous Location: Collection: 104510 Cell: 3

Truncate Name: l3 Date: 2012-01-17
Truncate Comments: I41, 1 molecule/asu, peak wavelength Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Truncate Log File: truncate.log Date: 2012-01-17
Truncate Reflection File: truncate.mtz Date: 2012-01-17
truncate program version: 6.2 Date: 2012-01-17
Unique reflections overall: 144264 Date: 2012-01-17
Wilson_Bfact: 54.926 Date: 2012-01-17
Truncate Date: 2012-01-17 Date: 2012-01-17
Cell A: 114.0340 Date: 2012-01-17
Cell B: 114.0340 Date: 2012-01-17
Cell C: 75.1710 Date: 2012-01-17
Angle Alpha: 90.0000 Date: 2012-01-17
Angle Beta: 90.0000 Date: 2012-01-17
Angle Gamma: 90.0000 Date: 2012-01-17
Unique Reflections: 18033 Date: 2012-01-17
Resolution Range Low: 29.152 Date: 2012-01-17
Resolution Range High: 2.440 Date: 2012-01-17

STAGE: Phasing

Collection: 104512 Cell: 1 Date: 2012-01-17 Status: Success Previous Location: Collection: 104511 Cell: 1 Collection: 104511 Cell: 2

Name of phasing run: sharp Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Phasing Comments: Se sites were first identified in Shelx and then refined in Sharp. Phased with the first two wavelengths. Date: 2012-01-17
Phasing reflection file: eden-unique.mtz Date: 2012-01-17
Phasing PRT log: ha.pdb Date: 2012-01-17
Phasing log file: sharp_log.mmcif Date: 2012-01-17
Solution Type: MAD Date: 2012-01-17
Reference Wavelength: 0.97949 Date: 2012-01-17
Phasing Date: 2012-01-17 Date: 2012-01-17

STAGE: Density Modification

Collection: 104513 Cell: 1 Date: 2012-01-17 Status: Success Previous Location: Collection: 104511 Cell: 1 Collection: 104512 Cell: 1

Name of DM run: solomon Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
DM Comments: density modification with Solomon in Sharp Date: 2012-01-17
DM reflection file: eden_flat_42.4pc.mtz Date: 2012-01-17
DM log file: solomon_log.html Date: 2012-01-17
DM Date: 2012-01-17 Date: 2012-01-17

STAGE: Tracing

Collection: 104514 Cell: 1 Date: 2012-01-17 Status: Solved Structure Previous Location: Collection: 104511 Cell: 1 Collection: 104513 Cell: 1 Collection: 104512 Cell: 1

Name of tracing run: warp Date: 2012-01-17
Performed By: 80 Date: 2012-01-17
Tracing Comments: 94% (356/380) traced and docked. R=0.191 sharp_xds/i41/nmol1/lambda12 Date: 2012-01-17
Tracing program: ARP/wARP Date: 2012-01-17
Tracing log file: eden_flat_42.4pc_warpNtrace_build.log Date: 2012-01-17
Tracing reflection file: eden_flat_42.4pc_warpNtrace.mtz Date: 2012-01-17
Tracing PDB: model_SHARP.2_wARP_42.4pc.pdb Date: 2012-01-17
Tracing Program Version: 7.0.1 Date: 2012-01-17
Tracing Date: 2012-01-17 Date: 2012-01-17

STAGE: Refining

Collection: 104581 Cell: 1 Date: 2012-01-20 Status: Success Previous Location: Collection: 104514 Cell: 1 Collection: 104511 Cell: 2 Collection: 104513 Cell: 1 Collection: 104512 Cell: 1

Name of refinement run: ref1 Date: 2012-01-20
Performed By: 2793 Date: 2012-01-20
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2012-01-20
RESOLUTION RANGE HIGH:: 2.30 Date: 2012-01-20
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2012-01-20
COMPLETENESS (WORKING+TEST) (%) :: 99.45 Date: 2012-01-20
NUMBER OF REFLECTIONS :: 20294 Date: 2012-01-20
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2012-01-20
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2012-01-20
R VALUE (WORKING SET) :: 0.16731 Date: 2012-01-20
FREE R VALUE :: 0.19722 Date: 2012-01-20
FREE R VALUE TEST SET SIZE (%) :: 5.1 Date: 2012-01-20
FREE R VALUE TEST SET COUNT :: 1097 Date: 2012-01-20
TOTAL NUMBER OF BINS USED :: 20 Date: 2012-01-20
BIN RESOLUTION RANGE HIGH (A) :: 2.300 Date: 2012-01-20
BIN RESOLUTION RANGE LOW (A) :: 2.359 Date: 2012-01-20
REFLECTIONS IN BIN (WORKING SET) :: 1430 Date: 2012-01-20
BIN R VALUE (WORKING SET) :: 0.276 Date: 2012-01-20
BIN FREE R VALUE :: 0.327 Date: 2012-01-20
BIN FREE R VALUE TEST SET COUNT :: 87 Date: 2012-01-20
MEAN B VALUE (OVERALL, A**2) :: 34.263 Date: 2012-01-20
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: -1.41 Date: 2012-01-20
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: -1.41 Date: 2012-01-20
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: 2.83 Date: 2012-01-20
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2012-01-20
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2012-01-20
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2012-01-20
SPACE GROUP: I41 Date: 2012-01-20
MAIN-CHAIN ANGLE RMS (A**2) :: 1.415 Date: 2012-01-20
BOND LENGTHS RMS DEVIATIONS (A) :: 0.013 Date: 2012-01-20
Refinement Log: submitted1.log Date: 2012-01-20
Reflection File: submitted1.mtz Date: 2012-01-20
PDB file: submitted1.pdb Date: 2012-01-20
Program: REFMAC Date: 2012-01-20
Version: 5.6.0117 Date: 2012-01-20
Cell A: 113.892 Date: 2012-01-20
Cell B: 113.892 Date: 2012-01-20
Cell C: 75.219 Date: 2012-01-20
Angle Alpha: 90.00 Date: 2012-01-20
Angle Beta: 90.00 Date: 2012-01-20
Angle Gamma: 90.00 Date: 2012-01-20
ALL ATOMS: 2942 Date: 2012-01-20
ESU BASED ON R VALUE: 0.230 Date: 2012-01-20
ESU BASED ON FREE R VALUE: 0.176 Date: 2012-01-20
ESU BASED ON MAXIMUM LIKELIHOOD: 0.135 Date: 2012-01-20
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 11.302 Date: 2012-01-20
CORRELATION COEFFICIENT FO-FC: 0.969 Date: 2012-01-20
CORRELATION COEFFICIENT FO-FC FREE: 0.963 Date: 2012-01-20
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 2886 Date: 2012-01-20
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.020 Date: 2012-01-20
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.959 Date: 2012-01-20
CHIRAL-CENTER RESTRAINTS RMS: 0.077 Date: 2012-01-20
TORSION ANGLES, PERIOD COUNT: 367::132::473::7 Date: 2012-01-20
TORSION ANGLES, PERIOD RMS: 5.964::34.987::14.705::11.286 Date: 2012-01-20
TORSION ANGLES, PERIOD WEIGHT: 5.000::26.288::15.000::15.000 Date: 2012-01-20
CHIRAL-CENTER RESTRAINTS COUNT: 435 Date: 2012-01-20
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2012-01-20
GENERAL PLANES REFINED ATOMS COUNT: 3253 Date: 2012-01-20
GENERAL PLANES REFINED ATOMS RMS: 0.006 Date: 2012-01-20
GENERAL PLANES REFINED ATOMS WEIGHT: 0.021 Date: 2012-01-20
METHOD USED: BABINET MODEL WITH MASK Date: 2012-01-20
VDW PROBE RADIUS: 1.20 Date: 2012-01-20
ION PROBE RADIUS: 0.80 Date: 2012-01-20
SHRINKAGE RADIUS: 0.80 Date: 2012-01-20
Refinement Date : 2012-01-20 Date: 2012-01-20
Refinement Technical Note: qc_check1.html Date: 2012-01-20
Structure Refinement Summary: submitted1.txt Date: 2012-01-20
Matthews Coef: 2.95 Date: 2012-01-22
Solvent Percentage: 58.30 Date: 2012-01-22

Collection: 104581 Cell: 2 Date: 2012-01-24 Status: Success Previous Location: Collection: 104514 Cell: 1 Collection: 104511 Cell: 2 Collection: 104513 Cell: 1 Collection: 104512 Cell: 1 Collection: 104581 Cell: 1

Name of refinement run: ref2 Date: 2012-01-24
Performed By: 2793 Date: 2012-01-24
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2012-01-24
RESOLUTION RANGE HIGH:: 2.30 Date: 2012-01-24
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2012-01-24
COMPLETENESS (WORKING+TEST) (%) :: 99.45 Date: 2012-01-24
NUMBER OF REFLECTIONS :: 20294 Date: 2012-01-24
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2012-01-24
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2012-01-24
R VALUE (WORKING SET) :: 0.16165 Date: 2012-01-24
FREE R VALUE :: 0.19269 Date: 2012-01-24
FREE R VALUE TEST SET SIZE (%) :: 5.1 Date: 2012-01-24
FREE R VALUE TEST SET COUNT :: 1097 Date: 2012-01-24
TOTAL NUMBER OF BINS USED :: 20 Date: 2012-01-24
BIN RESOLUTION RANGE HIGH (A) :: 2.300 Date: 2012-01-24
BIN RESOLUTION RANGE LOW (A) :: 2.359 Date: 2012-01-24
REFLECTIONS IN BIN (WORKING SET) :: 1430 Date: 2012-01-24
BIN R VALUE (WORKING SET) :: 0.265 Date: 2012-01-24
BIN FREE R VALUE :: 0.315 Date: 2012-01-24
BIN FREE R VALUE TEST SET COUNT :: 87 Date: 2012-01-24
MEAN B VALUE (OVERALL, A**2) :: 47.372 Date: 2012-01-24
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: -1.40 Date: 2012-01-24
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: -1.40 Date: 2012-01-24
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: 2.81 Date: 2012-01-24
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2012-01-24
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2012-01-24
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2012-01-24
SPACE GROUP: I41 Date: 2012-01-24
MAIN-CHAIN ANGLE RMS (A**2) :: 1.697 Date: 2012-01-24
BOND LENGTHS RMS DEVIATIONS (A) :: 0.017 Date: 2012-01-24
Refinement Log: submitted2.log Date: 2012-01-24
Reflection File: submitted2.mtz Date: 2012-01-24
PDB file: submitted2.pdb Date: 2012-01-24
Program: REFMAC Date: 2012-01-24
Version: 5.6.0117 Date: 2012-01-24
Cell A: 113.892 Date: 2012-01-24
Cell B: 113.892 Date: 2012-01-24
Cell C: 75.219 Date: 2012-01-24
Angle Alpha: 90.00 Date: 2012-01-24
Angle Beta: 90.00 Date: 2012-01-24
Angle Gamma: 90.00 Date: 2012-01-24
ALL ATOMS: 2955 Date: 2012-01-24
ESU BASED ON R VALUE: 0.224 Date: 2012-01-24
ESU BASED ON FREE R VALUE: 0.172 Date: 2012-01-24
ESU BASED ON MAXIMUM LIKELIHOOD: 0.134 Date: 2012-01-24
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 11.160 Date: 2012-01-24
CORRELATION COEFFICIENT FO-FC: 0.971 Date: 2012-01-24
CORRELATION COEFFICIENT FO-FC FREE: 0.964 Date: 2012-01-24
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 2886 Date: 2012-01-24
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.020 Date: 2012-01-24
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.959 Date: 2012-01-24
CHIRAL-CENTER RESTRAINTS RMS: 0.095 Date: 2012-01-24
TORSION ANGLES, PERIOD COUNT: 367::132::473::7 Date: 2012-01-24
TORSION ANGLES, PERIOD RMS: 6.147::35.318::15.491::12.948 Date: 2012-01-24
TORSION ANGLES, PERIOD WEIGHT: 5.000::26.288::15.000::15.000 Date: 2012-01-24
CHIRAL-CENTER RESTRAINTS COUNT: 435 Date: 2012-01-24
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2012-01-24
GENERAL PLANES REFINED ATOMS COUNT: 3253 Date: 2012-01-24
GENERAL PLANES REFINED ATOMS RMS: 0.008 Date: 2012-01-24
GENERAL PLANES REFINED ATOMS WEIGHT: 0.021 Date: 2012-01-24
METHOD USED: BABINET MODEL WITH MASK Date: 2012-01-24
VDW PROBE RADIUS: 1.20 Date: 2012-01-24
ION PROBE RADIUS: 0.80 Date: 2012-01-24
SHRINKAGE RADIUS: 0.80 Date: 2012-01-24
Refinement Date : 2012-01-24 Date: 2012-01-24
Refinement Technical Note: qc_check2.html Date: 2012-01-24
Structure Refinement Summary: submitted2.txt Date: 2012-01-24
Matthews Coef: 2.95 Date: 2012-01-29
Solvent Percentage: 58.30 Date: 2012-01-29

Collection: 104581 Cell: 3 Date: 2012-03-23 Status: Success Previous Location: Collection: 104514 Cell: 1 Collection: 104511 Cell: 2 Collection: 104513 Cell: 1 Collection: 104512 Cell: 1 Collection: 104581 Cell: 2

Name of refinement run: ref3 Date: 2012-03-23
Performed By: 2793 Date: 2012-03-23
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD WITH PHASES Date: 2012-03-23
RESOLUTION RANGE HIGH:: 2.30 Date: 2012-03-23
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2012-03-23
COMPLETENESS (WORKING+TEST) (%) :: 99.45 Date: 2012-03-23
NUMBER OF REFLECTIONS :: 20294 Date: 2012-03-23
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2012-03-23
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2012-03-23
R VALUE (WORKING SET) :: 0.16263 Date: 2012-03-23
FREE R VALUE :: 0.19263 Date: 2012-03-23
FREE R VALUE TEST SET SIZE (%) :: 5.1 Date: 2012-03-23
FREE R VALUE TEST SET COUNT :: 1097 Date: 2012-03-23
TOTAL NUMBER OF BINS USED :: 20 Date: 2012-03-23
BIN RESOLUTION RANGE HIGH (A) :: 2.300 Date: 2012-03-23
BIN RESOLUTION RANGE LOW (A) :: 2.359 Date: 2012-03-23
REFLECTIONS IN BIN (WORKING SET) :: 1430 Date: 2012-03-23
BIN R VALUE (WORKING SET) :: 0.265 Date: 2012-03-23
BIN FREE R VALUE :: 0.326 Date: 2012-03-23
BIN FREE R VALUE TEST SET COUNT :: 87 Date: 2012-03-23
MEAN B VALUE (OVERALL, A**2) :: 47.377 Date: 2012-03-23
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: -1.40 Date: 2012-03-23
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: -1.40 Date: 2012-03-23
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: 2.79 Date: 2012-03-23
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: 0.00 Date: 2012-03-23
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2012-03-23
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2012-03-23
SPACE GROUP: I41 Date: 2012-03-23
MAIN-CHAIN ANGLE RMS (A**2) :: 1.732 Date: 2012-03-23
BOND LENGTHS RMS DEVIATIONS (A) :: 0.017 Date: 2012-03-23
Refinement Log: submitted3.log Date: 2012-03-23
Reflection File: submitted3.mtz Date: 2012-03-23
PDB file: submitted3.pdb Date: 2012-03-23
Program: REFMAC Date: 2012-03-23
Version: 5.6.0117 Date: 2012-03-23
Cell A: 113.892 Date: 2012-03-23
Cell B: 113.892 Date: 2012-03-23
Cell C: 75.219 Date: 2012-03-23
Angle Alpha: 90.00 Date: 2012-03-23
Angle Beta: 90.00 Date: 2012-03-23
Angle Gamma: 90.00 Date: 2012-03-23
ALL ATOMS: 2958 Date: 2012-03-23
ESU BASED ON R VALUE: 0.225 Date: 2012-03-23
ESU BASED ON FREE R VALUE: 0.172 Date: 2012-03-23
ESU BASED ON MAXIMUM LIKELIHOOD: 0.134 Date: 2012-03-23
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 11.187 Date: 2012-03-23
CORRELATION COEFFICIENT FO-FC: 0.971 Date: 2012-03-23
CORRELATION COEFFICIENT FO-FC FREE: 0.964 Date: 2012-03-23
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 2900 Date: 2012-03-23
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.020 Date: 2012-03-23
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.959 Date: 2012-03-23
CHIRAL-CENTER RESTRAINTS RMS: 0.094 Date: 2012-03-23
TORSION ANGLES, PERIOD COUNT: 367::132::473::7 Date: 2012-03-23
TORSION ANGLES, PERIOD RMS: 6.253::35.531::15.612::12.827 Date: 2012-03-23
TORSION ANGLES, PERIOD WEIGHT: 5.000::26.288::15.000::15.000 Date: 2012-03-23
CHIRAL-CENTER RESTRAINTS COUNT: 435 Date: 2012-03-23
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2012-03-23
GENERAL PLANES REFINED ATOMS COUNT: 3253 Date: 2012-03-23
GENERAL PLANES REFINED ATOMS RMS: 0.008 Date: 2012-03-23
GENERAL PLANES REFINED ATOMS WEIGHT: 0.021 Date: 2012-03-23
METHOD USED: BABINET MODEL WITH MASK Date: 2012-03-23
VDW PROBE RADIUS: 1.20 Date: 2012-03-23
ION PROBE RADIUS: 0.80 Date: 2012-03-23
SHRINKAGE RADIUS: 0.80 Date: 2012-03-23
Refinement Date : 2012-03-23 Date: 2012-03-23
Refinement Technical Note: qc_check3.html Date: 2012-03-23
Structure Refinement Summary: submitted3.txt Date: 2012-03-23
Matthews Coef: 2.95 Date: 2012-03-25
Solvent Percentage: 58.30 Date: 2012-03-25

STAGE: QC

Collection: 104642 Cell: 1 Date: 2012-01-24 Status: QC Return Previous Location: Collection: 104581 Cell: 1

Performed By: 79 Date: 2012-01-24
QC Log: qca.txt Date: 2012-01-24
QC Date: 2012-01-24 Date: 2012-01-24
QC Set Name: qc1 Date: 2012-01-24

Collection: 104642 Cell: 2 Date: 2012-01-24 Status: Success Previous Location: Collection: 104581 Cell: 2

Performed By: 79 Date: 2012-01-24
QC Date: 2012-01-24 Date: 2012-01-24
QC Set Name: qc2 Date: 2012-01-24

STAGE: Validation

Collection: 104643 Cell: 1 Date: 2012-03-26 Status: Success Previous Location: Collection: 104642 Cell: 2

STAGE: PDB Deposition

Collection: 106961 Cell: 1 Date: 2012-03-26 Status: Success Previous Location: Collection: 104643 Cell: 1

PDB ID: 4ecg Date: 2012-03-26
RCSB ID: rcsb071442 Date: 2012-03-26
PDB File: gs12873a.pdb Date: 2012-03-26
Coordinate mmCIF File: gs12873a_coor.mmCIF.gz Date: 2012-03-26
Structure factor mmCIF File: gs12873a_sf.mmCIF.gz Date: 2012-03-26
Deposition Date: 2012-03-26 Date: 2012-03-26

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