JCSG Target History

		Search JCSG

Target ID:

357074

Target Name:

15023806

Protein Accession:

15023806

Local Accession:

TB0723K

cDNA Accession:

GB|AE001437|:1039065-1039463

PSCA

PDB:1vmh

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

Tracing

MR Tracing

Refining

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

Tracing

MR Tracing

Refining

PDB Deposition

Status View


Chrono View

Name:	Uncharacterized conserved protein YjbQ/UPF0047 family, ortholog yugU B.subtilis.	Start Position:	1	End Position:	132
GNF Target Alias:	HK200:MH4a-15023806-cac-132-1-132	Sequence Type:	COMPLETE	Residues:	132
DNA Length:	396	Molecular Weight:	14594.90	Isoelectric Point:	5.75
Epsilon 280:	9970	Gravy Index:	-0.20	Species:	C. acetobutylicum
Activated:	3	Alanine Absolute:	6	Alanine Relative:	0.0455
Arginine Absolute:	3	Arginine Relative:	0.0227	Asparagine Absolute:	7
Asparagine Relative:	0.0530	Aspartic Acid Absolute:	12	Aspartic Acid Relative:	0.0909
Cysteine Absolute:	1	Cysteine Relative:	0.0076	Glutamic Acid Absolute:	6
Glutamic Acid Relative:	0.0455	Glutamine Absolute:	4	Glutamine Relative:	0.0303
Glycine Absolute:	11	Glycine Relative:	0.0833	Histidine Absolute:	4
Histidine Relative:	0.0303	Isoleucine Absolute:	13	Isoleucine Relative:	0.0985
Leucine Absolute:	7	Leucine Relative:	0.0530	Lysine Absolute:	12
Lysine Relative:	0.0909	Methionine Absolute:	3	Methionine Relative:	0.0227
Phenylalanine Absolute:	6	Phenylalanine Relative:	0.0455	Proline Absolute:	4
Proline Relative:	0.0303	Serine Absolute:	8	Serine Relative:	0.0606
Threonine Absolute:	8	Threonine Relative:	0.0606	Tryptophan Absolute:	1
Tryptophan Relative:	0.0076	Tyrosine Absolute:	3	Tyrosine Relative:	0.0227
Valine Absolute:	13	Valine Relative:	0.0985	Project:	TM Orthologs
Comment:	gi\|15023806\|gb\|AAK78883.1\|AE007606_3 Uncharacterized conserved protein YjbQ/UPF0047 family, ortholog yugU B.subtilis [Clostridium acetobutylicum]	Selection Date:	2004-01-01

STAGE: Proposed Target

Plate: 0 Cell: 357074 Date: 2004-01-01 Status: Success

STAGE: Active Target

Plate: 24715 Cell: B05 Date: 2004-01-01 Status: Success - Backfilled Previous Location: Plate: 0 Cell: 357074

Sample Name: HK100:MH4a-15023806-cac-132-1-132 Date: 2006-09-16
GNF Project Name: Orthologs of Tma Date: 2006-09-16
GNF Program Name: JCSG Date: 2006-09-16

Plate: 25095 Cell: E01 Date: 2004-08-18 Status: Success Previous Location: Plate: 0 Cell: 357074

Sample Name: DL41:MH4a-15023806-cac-132-1-132 Date: 2006-09-16
GNF Project Name: Orthologs of Tma Date: 2006-09-16
GNF Program Name: JCSG Date: 2006-09-16

Plate: 25097 Cell: C02 Date: 2004-06-25 Status: Success Previous Location: Plate: 0 Cell: 357074

Sample Name: HK200:MH4a-15023806-cac-132-1-132 Date: 2006-09-16
GNF Project Name: Thermotoga maritima Date: 2006-09-16
GNF Program Name: JCSG Date: 2006-09-16

STAGE: PCR Testing

Plate: 24715 Cell: B05 Date: 2004-01-01 Status: Success - Backfilled Previous Location: Plate: 24715 Cell: B05
Plate: 25095 Cell: E01 Date: 2004-08-18 Status: Success Previous Location: Plate: 25095 Cell: E01
Plate: 25097 Cell: C02 Date: 2004-06-25 Status: Success Previous Location: Plate: 25097 Cell: C02

STAGE: Amplifer Generation

Plate: 24715 Cell: B05 Date: 2004-01-01 Status: Success - Backfilled Previous Location: Plate: 24715 Cell: B05
Plate: 25095 Cell: E01 Date: 2004-08-18 Status: Success Previous Location: Plate: 25095 Cell: E01
Plate: 25097 Cell: C02 Date: 2004-06-25 Status: Success Previous Location: Plate: 25097 Cell: C02

STAGE: Orientation

Plate: 24715 Cell: B05 Date: 2004-01-01 Status: Success - Backfilled Previous Location: Plate: 24715 Cell: B05
Plate: 25095 Cell: E01 Date: 2004-08-18 Status: Success Previous Location: Plate: 25095 Cell: E01
Plate: 25097 Cell: C02 Date: 2004-06-25 Status: Success Previous Location: Plate: 25097 Cell: C02

STAGE: Plasmid Purification

Plate: 24715 (C-0240) Cell: B05 Date: 2004-01-01 Status: Success - Backfilled Previous Location: Plate: 24715 (C-0240) Cell: B05

Clone ID: 15291 Date: 2004-06-23
Strain/Vector: HK100 Date: 2006-09-16
Clone Site: MH4a Date: 2006-09-16
Cloned Date: 2004-01-01 Date: 2006-09-16

Plate: 25095 (C-9999) Cell: E01 Date: 2004-08-18 Status: Success Previous Location: Plate: 25095 (C-9999) Cell: E01

Clone ID: 16995 Date: 2004-08-19
Strain/Vector: DL41 Date: 2006-09-16
Clone Site: MH4a Date: 2006-09-16

Plate: 25097 (C-0272) Cell: C02 Date: 2004-06-25 Status: Success Previous Location: Plate: 25097 (C-0272) Cell: C02

Clone ID: 15867 Date: 2004-07-19
Strain/Vector: HK200 Date: 2006-09-16
Clone Site: MH4a Date: 2006-09-16
Cloned Date: 2004-06-25 Date: 2006-09-16

STAGE: Expression

Plate: 24720 (E-0334) Cell: B11 Date: 2004-05-18 Status: Success - Backfilled Previous Location: Plate: 24715 (C-0240) Cell: B05

Fermentation Date: 2004-05-18 Date: 2006-09-12
GNFuge Date: 2004-05-25 Date: 2006-09-12
Protein ID: 29804 Date: 2004-06-23
Media: Native-TB Date: 2006-09-12

Plate: 25160 (E-0351) Cell: C02 Date: 2004-06-25 Status: Success Previous Location: Plate: 25097 (C-0272) Cell: C02

Fermentation Date: 2004-06-25 Date: 2006-09-12
Protein ID: 31394 Date: 2004-07-19
Media: Se-Met Date: 2006-09-12

Plate: 25160 (E-0351) Cell: C05 Date: 2004-06-25 Status: Success Previous Location: Plate: 25097 (C-0272) Cell: C02

Fermentation Date: 2004-06-25 Date: 2006-09-12
Protein ID: 31397 Date: 2004-07-19
Media: Se-Met Date: 2006-09-12

Plate: 25160 (E-0351) Cell: C08 Date: 2004-06-25 Status: Success Previous Location: Plate: 25097 (C-0272) Cell: C02

Fermentation Date: 2004-06-25 Date: 2006-09-12
Protein ID: 31400 Date: 2004-07-19
Media: Se-Met Date: 2006-09-12

Plate: 25160 (E-0351) Cell: C11 Date: 2004-06-25 Status: Success Previous Location: Plate: 25097 (C-0272) Cell: C02

Fermentation Date: 2004-06-25 Date: 2006-09-12
Protein ID: 31403 Date: 2004-07-19
Media: Se-Met Date: 2006-09-12

Plate: 26482 (E-0375) Cell: E01 Date: 2004-08-18 Status: Success Previous Location: Plate: 25095 (C-9999) Cell: E01

Fermentation Date: 2004-08-18 Date: 2006-09-12
GNFuge Date: 2004-08-19 Date: 2006-09-12
Protein ID: 33652 Date: 2004-08-19
Media: Se-Met Date: 2006-09-12

Plate: 26487 (E-0378) Cell: E03 Date: 2004-08-20 Status: Success Previous Location: Plate: 25095 (C-9999) Cell: E01

Fermentation Date: 2004-08-20 Date: 2006-09-12
Protein ID: 33942 Date: 2004-08-20
Media: Se-Met Date: 2006-09-12

Plate: 26487 (E-0378) Cell: E06 Date: 2004-08-20 Status: Success Previous Location: Plate: 25095 (C-9999) Cell: E01

Fermentation Date: 2004-08-20 Date: 2006-09-12
Protein ID: 33945 Date: 2004-08-20
Media: Se-Met Date: 2006-09-12

Plate: 26487 (E-0378) Cell: E09 Date: 2004-08-20 Status: Success Previous Location: Plate: 25095 (C-9999) Cell: E01

Fermentation Date: 2004-08-20 Date: 2006-09-12
Protein ID: 33948 Date: 2004-08-20
Media: Se-Met Date: 2006-09-12

Plate: 26487 (E-0378) Cell: E12 Date: 2004-08-20 Status: Success Previous Location: Plate: 25095 (C-9999) Cell: E01

Fermentation Date: 2004-08-20 Date: 2006-09-12
Protein ID: 33951 Date: 2004-08-20
Media: Se-Met Date: 2006-09-12

Plate: 30670 (E-0502) Cell: B03 Date: 2005-04-29 Status: Success Previous Location: Plate: 24715 (C-0240) Cell: B05

Fermentation Date: 2005-04-29 Date: 2006-09-12
Protein ID: 45207 Date: 2005-05-04
Media: Native-TB Date: 2006-09-12

Plate: 30670 (E-0502) Cell: B06 Date: 2005-04-29 Status: Success Previous Location: Plate: 24715 (C-0240) Cell: B05

Fermentation Date: 2005-04-29 Date: 2006-09-12
Protein ID: 45210 Date: 2005-05-04
Media: Native-TB Date: 2006-09-12

STAGE: Protein Purification

Plate: 24720 (E-0334) Cell: B11 Date: 2004-05-28 Status: Success - Backfilled Previous Location: Plate: 24720 (E-0334) Cell: B11

Purified Concentration (mg/mL): 18.0 Date: 2006-09-12

Plate: 25160 (E-0351) Cell: C02 Date: 2004-07-07 Status: Success Previous Location: Plate: 25160 (E-0351) Cell: C02

Purified Concentration (mg/mL): 10.0 Date: 2006-09-12

Plate: 25160 (E-0351) Cell: C05 Date: 2004-07-19 Status: Success Previous Location: Plate: 25160 (E-0351) Cell: C05
Plate: 25160 (E-0351) Cell: C08 Date: 2004-07-19 Status: Success Previous Location: Plate: 25160 (E-0351) Cell: C08
Plate: 25160 (E-0351) Cell: C11 Date: 2004-07-19 Status: Success Previous Location: Plate: 25160 (E-0351) Cell: C11
Plate: 26482 (E-0375) Cell: E01 Date: 2004-08-19 Status: Success Previous Location: Plate: 26482 (E-0375) Cell: E01
Plate: 26487 (E-0378) Cell: E03 Date: 2004-08-20 Status: Success Previous Location: Plate: 26487 (E-0378) Cell: E03

Purified Concentration (mg/mL): 18.0 Date: 2006-09-12

Plate: 26487 (E-0378) Cell: E06 Date: 2004-08-20 Status: Success Previous Location: Plate: 26487 (E-0378) Cell: E06
Plate: 26487 (E-0378) Cell: E09 Date: 2004-08-20 Status: Success Previous Location: Plate: 26487 (E-0378) Cell: E09
Plate: 26487 (E-0378) Cell: E12 Date: 2004-08-20 Status: Success Previous Location: Plate: 26487 (E-0378) Cell: E12
Plate: 30670 (E-0502) Cell: B03 Date: 2005-05-04 Status: Success Previous Location: Plate: 30670 (E-0502) Cell: B03

Purified Concentration (mg/mL): 15.0 Date: 2006-09-12

Plate: 30670 (E-0502) Cell: B06 Date: 2005-05-04 Status: Success Previous Location: Plate: 30670 (E-0502) Cell: B06

STAGE: Crystallization

Plate: 24758 (G0005070) Cell: XT Date: 2004-05-28 Status: Success - Backfilled Previous Location: Plate: 24720 (E-0334) Cell: B11

Screen Type: Sparse Matrix Date: 2006-09-12
Setup Date: 2004-05-28 Date: 2006-09-12
Setup Temp: 4 Date: 2006-09-12
Crystal Conditions: GNF96 Date: 2006-09-12
Drop Volume (nl): 200.0 Date: 2006-09-12
Precipitate Volume (nl): 200 Date: 2006-09-12
Reservoir Volume (ul): 50.0 Date: 2006-09-12

Plate: 25594 (G0006107) Cell: XT Date: 2004-07-07 Status: Success Previous Location: Plate: 25160 (E-0351) Cell: C02

Screen Type: Sparse Matrix Date: 2007-07-15
Setup Date: 2004-07-07 Date: 2007-07-15
Setup Temp: 4 Date: 2007-07-15
Crystal Conditions: GNF1 Date: 2007-07-15
Drop Volume (nl): 200.0 Date: 2007-07-15
Precipitate Volume (nl): 200 Date: 2007-07-15
Reservoir Volume (ul): 50.0 Date: 2007-07-15

Plate: 25595 (G0006158) Cell: XT Date: 2004-07-07 Status: Success Previous Location: Plate: 25160 (E-0351) Cell: C02

Screen Type: Sparse Matrix Date: 2006-09-12
Setup Date: 2004-07-07 Date: 2006-09-12
Setup Temp: 4 Date: 2006-09-12
Crystal Conditions: GNF2 Date: 2006-09-12
Drop Volume (nl): 200.0 Date: 2006-09-12
Precipitate Volume (nl): 200 Date: 2006-09-12
Reservoir Volume (ul): 50.0 Date: 2006-09-12

Plate: 38931 (G0021035) Cell: XT Date: 2006-07-21 Status: Success Previous Location: Plate: 24720 (E-0334) Cell: B11

Screen Type: Fine Date: 2006-09-12
Setup Date: 2006-07-21 Date: 2006-09-12
Setup Temp: 4 Date: 2006-09-12
Crystal Conditions: G0021035-GNF2-A05 Date: 2006-09-12
Drop Volume (nl): 75.0 Date: 2006-09-12
Precipitate Volume (nl): 75 Date: 2006-09-12
Reservoir Volume (ul): 50.0 Date: 2006-09-12

Plate: 39349 (G0021783) Cell: XT Date: 2006-08-09 Status: Success Previous Location: Plate: 24720 (E-0334) Cell: B11

Screen Type: Fine Date: 2006-09-12
Setup Date: 2006-08-09 Date: 2006-09-12
Setup Temp: 4 Date: 2006-09-12
Crystal Conditions: G0021783-GNF2-A05 Date: 2006-09-12
Drop Volume (nl): 75.0 Date: 2006-09-12
Precipitate Volume (nl): 75 Date: 2006-09-12
Reservoir Volume (ul): 50.0 Date: 2006-09-12

Plate: 41406 (G0022579) Cell: XT Date: 2006-10-23 Status: Success Previous Location: Plate: 24720 (E-0334) Cell: B11

Screen Type: Fine Date: 2006-11-19
Setup Date: 2006-10-23 Date: 2006-11-19
Setup Temp: 4 Date: 2006-11-19
Crystal Conditions: G0022579-GNF2-A05 Date: 2006-11-19
Drop Volume (nl): 75.0 Date: 2006-11-19
Precipitate Volume (nl): 75 Date: 2006-11-19
Reservoir Volume (ul): 50.0 Date: 2006-11-19

STAGE: Crystal Hit

Plate: 24758 (G0005070) Cell: A11 Date: 2004-05-28 Status: Success Previous Location: Plate: 24758 (G0005070) Cell: XT

Setup Date: 2004-05-28 Date: 2006-09-18
Screen Date: 2004-06-25 Date: 2006-09-18
Screen Conditions: 0.2M NH4H2PO3, 50.0% MPD, 0.1M TRIS pH 8.5 Date: 2006-09-18

Plate: 24758 (G0005070) Cell: B09 Date: 2004-05-28 Status: Success Previous Location: Plate: 24758 (G0005070) Cell: XT

Setup Date: 2004-05-28 Date: 2006-09-18
Screen Date: 2004-06-25 Date: 2006-09-18
Screen Conditions: 20.0% PEG-6000, 0.1M Citrate pH 5.0 Date: 2006-09-18

Plate: 24758 (G0005070) Cell: C11 Date: 2004-05-28 Status: Success - Backfilled Previous Location: Plate: 24758 (G0005070) Cell: XT

Setup Date: 2004-05-28 Date: 2006-09-18
Screen Date: 2004-06-25 Date: 2006-09-18
Screen Conditions: 2.0% Dioxane, 10.0% PEG-20000, 0.1M Bicine pH 9.0 Date: 2006-09-18

Plate: 24758 (G0005070) Cell: G03 Date: 2004-05-28 Status: Success Previous Location: Plate: 24758 (G0005070) Cell: XT

Setup Date: 2004-05-28 Date: 2006-09-18
Screen Date: 2004-06-25 Date: 2006-09-18
Screen Conditions: 10.0% PEG-3000, 0.2M NaCl, 0.1M Phosphate Citrate pH 4.2 Date: 2006-09-18

Plate: 24758 (G0005070) Cell: H09 Date: 2004-05-28 Status: Success Previous Location: Plate: 24758 (G0005070) Cell: XT

Setup Date: 2004-05-28 Date: 2006-09-18
Screen Date: 2004-06-25 Date: 2006-09-18
Screen Conditions: 20.0% PEG-2000, 0.1M TRIS pH 7.0 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: A11 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M KAcetate, 20.0% PEG-3350, No Buffer pH 7.8 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: B01 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M NaCl, 20.0% PEG-3000, 0.1M HEPES pH 7.5 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: B02 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 20.0% PEG-8000, 0.1M HEPES pH 7.5 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: B03 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 8.0% Ethylene-Glycol, 10.0% PEG-8000, 0.1M HEPES pH 7.5 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: C01 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M NH4Acetate, 20.0% PEG-3350, No Buffer pH 7.1 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: C08 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M NaAcetate, 20.0% PEG-3350, No Buffer pH 7.9 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: C11 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M K2NO3, 20.0% PEG-3350, No Buffer pH 6.9 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: C12 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M NaThioCyanate, 20.0% PEG-3350, No Buffer pH 6.9 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: D01 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2None NaI, 20.0% PEG-3350, No Buffer pH 6.9 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: E12 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 20.0% PEG-6000, 0.1M MES pH 6.0 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: F01 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 10.0% PEG-6000, 0.1M MES pH 6.0 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: F03 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M MgFormate, 20.0% PEG-3350, No Buffer pH 5.9 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: F05 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M MgCl2, 20.0% PEG-3350, No Buffer pH 5.8 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: F10 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 40.0% Ethanol, 5.0% PEG-1000, 0.1M Phosphate Citrate pH 4.2 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: G08 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M NH4H2PO3, 20.0% PEG-3350, No Buffer pH 4.6 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: G09 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M (NH4)2SO4, 30.0% PEGME-2000, 0.1M Acetate pH 4.6 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: H02 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 20.0% PEG-3000, 0.1M Acetate pH 4.5 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: H03 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M Na2HPO4, 20.0% PEG-3350, Date: 2006-09-18

Plate: 25594 (G0006107) Cell: H04 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.05M KH2PO4, 20.0% PEG-8000, Date: 2006-09-18

Plate: 25594 (G0006107) Cell: H06 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 2.0M (NH4)2SO4, 0.1M Phosphate Citrate pH 4.2 Date: 2006-09-18

Plate: 25594 (G0006107) Cell: H07 Date: 2004-07-07 Status: Success Previous Location: Plate: 25594 (G0006107) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M Li2SO4, 20.0% PEG-1000, 0.1M Phosphate Citrate pH 4.2 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: B11 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 15.0% Glycerol, 8.5% iso-Propanol, 17.0% PEG-4000, 0.1M HEPES pH 7.5 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: D02 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M Na2NO3, 20.0% PEG-3350, No Buffer pH 6.8 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: D05 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M MgFormate, Date: 2006-09-18

Plate: 25595 (G0006158) Cell: D06 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 40.0% PEG-600, 0.1M Citrate pH 5.5 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: E12 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M NaCl, 40.0% PEG-300, 0.1M Acetate pH 4.5 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: F08 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 2.4M (NH4)2SO4, 0.1M Citrate pH 5.0 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: F11 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 1.0M LiCl, 20.0% PEG-6000, 0.1M Citrate pH 5.0 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: G03 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M MgCl2, 40.0% PEG-400, 0.1M Citrate pH 5.5 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: G10 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 2.0M (NH4)2SO4, 0.1M Acetate pH 4.6 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: G11 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 10.0% PEG-3000, 0.2M Zn(OAc)2, 0.1M Acetate pH 4.5 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: G12 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.2M (NH4)2SO4, 10.0% Glycerol, 20.0% PEG-300, 0.1M Phosphate Citrate pH 4.2 Date: 2006-09-18

Plate: 25595 (G0006158) Cell: H07 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 0.17M (NH4)2SO4, 15.0% Glycerol, 25.5% PEG-4000, Date: 2006-09-18

Plate: 25595 (G0006158) Cell: H12 Date: 2004-07-07 Status: Success Previous Location: Plate: 25595 (G0006158) Cell: XT

Setup Date: 2004-07-07 Date: 2006-09-18
Screen Date: 2004-08-04 Date: 2006-09-18
Screen Conditions: 20.0% PEG-6000, 0.1M Citrate pH 4.0 Date: 2006-09-18

Plate: 39349 (G0021783) Cell: A06 Date: 2006-08-09 Status: Success Previous Location: Plate: 39349 (G0021783) Cell: XT

Setup Date: 2006-08-09 Date: 2006-09-24
Screen Date: 2006-08-22 Date: 2006-09-24
Screen Conditions: G0021783-GNF2-A05 A06: 15.0% polyethylene glycol monomethyl ether 2000, 2.0% Dioxane, 0.1M Bicine pH 8.5 Date: 2006-09-24

Plate: 39349 (G0021783) Cell: E05 Date: 2006-08-09 Status: Success Previous Location: Plate: 39349 (G0021783) Cell: XT

Setup Date: 2006-08-09 Date: 2006-09-24
Screen Date: 2006-08-22 Date: 2006-09-24
Screen Conditions: G0021783-GNF2-A05 E05: 12.5% polyethylene glycol monomethyl ether 2000, 2.0% Dioxane, 0.1M Bicine pH 8.5 Date: 2006-09-24

Plate: 39349 (G0021783) Cell: E06 Date: 2006-08-09 Status: Success Previous Location: Plate: 39349 (G0021783) Cell: XT

Setup Date: 2006-08-09 Date: 2006-09-24
Screen Date: 2006-08-22 Date: 2006-09-24
Screen Conditions: G0021783-GNF2-A05 E06: 15.0% polyethylene glycol monomethyl ether 2000, 2.0% Dioxane, 0.1M Bicine pH 8.5 Date: 2006-09-24

Plate: 39349 (G0021783) Cell: F06 Date: 2006-08-09 Status: Success Previous Location: Plate: 39349 (G0021783) Cell: XT

Setup Date: 2006-08-09 Date: 2006-09-24
Screen Date: 2006-08-22 Date: 2006-09-24
Screen Conditions: G0021783-GNF2-A05 F06: 15.0% polyethylene glycol monomethyl ether 2000, 2.0% Dioxane, 0.1M Bicine pH 9.0 Date: 2006-09-24

Plate: 41406 (G0022579) Cell: E06 Date: 2006-10-23 Status: Success Previous Location: Plate: 41406 (G0022579) Cell: XT

Setup Date: 2006-10-23 Date: 2006-11-27
Screen Date: 2006-10-26 Date: 2006-11-27
Screen Conditions: G0022579-GNF2-A05 E06: 15.0% polyethylene glycol monomethyl ether 2000, 2.0% Dioxane, 0.1M Bicine pH 8.5 Date: 2006-11-27

STAGE: SDC Receiving

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A1 Date: 2004-06-16 Status: Success - Backfilled Previous Location: Plate: 24758 (G0005070) Cell: C11

Shipment ID: 378 Date: 2004-06-23

Vial ID: 0 Date: 2004-06-23
Cryo Conditions: 15% Ethylene-Glycol Date: 2004-06-23
Crystal Comments: square plate - confirmed MS data Date: 2004-06-23
Ship Date: 2004-06-16 Date: 2004-06-23
Crystal Id: 11187 Date: 2004-06-23
Pin Position: 755 Date: 2004-06-23
Ship Position: SSRL 00140 Date: 2004-06-23
Mount Date: 2004-06-16 Date: 2004-06-23

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A2 Date: 2004-06-16 Status: Success - Backfilled Previous Location: Plate: 24758 (G0005070) Cell: C11

Shipment ID: 378 Date: 2004-06-23

Vial ID: 0 Date: 2004-06-23
Cryo Conditions: 15% Ethylene-Glycol Date: 2004-06-23
Crystal Comments: square plate - confirmed MS data Date: 2004-06-23
Ship Date: 2004-06-16 Date: 2004-06-23
Crystal Id: 11188 Date: 2004-06-23
Pin Position: 257 Date: 2004-06-23
Ship Position: SSRL 00140 Date: 2004-06-23
Stop Flag: 0 Date: 2004-09-24
SDC Stage: 2810 Date: 2004-09-24
Mount Date: 2004-06-16 Date: 2004-06-23

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A3 Date: 2004-06-16 Status: Success - Backfilled Previous Location: Plate: 24758 (G0005070) Cell: C11

Shipment ID: 378 Date: 2004-06-23

Vial ID: 0 Date: 2004-06-23
Cryo Conditions: 15% Ethylene-Glycol Date: 2004-06-23
Crystal Comments: square plate - confirmed MS data Date: 2004-06-23
Ship Date: 2004-06-16 Date: 2004-06-23
Crystal Id: 11189 Date: 2004-06-23
Pin Position: 137 Date: 2004-06-23
Ship Position: SSRL 00140 Date: 2004-06-23
Mount Date: 2004-06-16 Date: 2004-06-23

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A4 Date: 2004-06-16 Status: Success - Backfilled Previous Location: Plate: 24758 (G0005070) Cell: C11

Shipment ID: 378 Date: 2004-06-23

Vial ID: 0 Date: 2004-06-23
Cryo Conditions: 15% Ethylene-Glycol Date: 2004-06-23
Crystal Comments: square plate - confirmed MS data Date: 2004-06-23
Ship Date: 2004-06-16 Date: 2004-06-23
Crystal Id: 11190 Date: 2004-06-23
Pin Position: 2175 Date: 2004-06-23
Ship Position: SSRL 00140 Date: 2004-06-23
Mount Date: 2004-06-16 Date: 2004-06-23

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A5 Date: 2004-06-16 Status: Success - Backfilled Previous Location: Plate: 24758 (G0005070) Cell: C11

Shipment ID: 378 Date: 2004-06-23

Vial ID: 0 Date: 2004-06-23
Cryo Conditions: 15% Ethylene-Glycol Date: 2004-06-23
Crystal Comments: square plate - confirmed MS data Date: 2004-06-23
Ship Date: 2004-06-16 Date: 2004-06-23
Crystal Id: 11191 Date: 2004-06-23
Pin Position: 1613 Date: 2004-06-23
Ship Position: SSRL 00140 Date: 2004-06-23
Mount Date: 2004-06-16 Date: 2004-06-23

STAGE: Screening

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A1 Date: 2004-06-27 Status: Success

Image Directory: /data/jcsg/ssrl/9_1/20040627/screening/cassette140 Date: 2004-09-10
Xtal Quality: 5 Date: 2004-09-10
Ice Rings: 7 Date: 2004-09-10
Diffraction Quality: 7 Date: 2004-09-10
Single Xtal: 1 Date: 2004-09-10
Spot Shape: 8 Date: 2004-09-10
Maximum Resolution: 4 Date: 2004-09-10
Beamline: SSRL BL9-1 Date: 2004-09-10
Robot Y or N: 1 Date: 2004-09-10
Screen Date: 2004-06-27 Date: 2004-09-10
Freezing: FROST Date: 2004-09-10
Loop: OK Date: 2004-09-10
Crystal Size: CND Date: 2004-09-10
Crystal Shape: CND Date: 2004-09-10
Crystal Condition: CND Date: 2004-09-10

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A2 Date: 2004-06-27 Status: Success

Image Directory: /data/jcsg/ssrl/9_1/20040627/screening/cassette140 Date: 2010-01-26
Xtal Quality: 6 Date: 2010-01-26
Ice Rings: 6 Date: 2010-01-26
Diffraction Quality: 6 Date: 2010-01-26
Single Xtal: 1 Date: 2010-01-26
Spot Shape: 8 Date: 2010-01-26
Maximum Resolution: 2.3 Date: 2010-01-26
Unit Cell Length: 79.4,79.4,50.7 Date: 2010-01-26
Unit Cell Angles: 90,90,120 Date: 2010-01-26
Beamline: SSRL BL9-1 Date: 2010-01-26
Space Group: H3 Date: 2010-01-26
Robot Y or N: 1 Date: 2010-01-26
Screen Date: 2004-06-27 Date: 2010-01-26
Freezing: CLEAR Date: 2010-01-26
Loop: OK Date: 2010-01-26
Crystal Size: CND Date: 2010-01-26
Crystal Shape: CND Date: 2010-01-26
Crystal Condition: CND Date: 2010-01-26
Comments: crystal lost on 2009/07/20 Date: 2010-01-26

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A3 Date: 2004-06-27 Status: Success

Image Directory: /data/jcsg/ssrl/9_1/20040627/screening/cassette140 Date: 2004-09-10
Xtal Quality: 3 Date: 2004-09-10
Ice Rings: 3 Date: 2004-09-10
Diffraction Quality: 4 Date: 2004-09-10
Single Xtal: 1 Date: 2004-09-10
Spot Shape: 6 Date: 2004-09-10
Maximum Resolution: 3 Date: 2004-09-10
Beamline: SSRL BL9-1 Date: 2004-09-10
Robot Y or N: 1 Date: 2004-09-10
Screen Date: 2004-06-27 Date: 2004-09-10
Freezing: FROST Date: 2004-09-10
Loop: OK Date: 2004-09-10
Crystal Size: CND Date: 2004-09-10
Crystal Shape: CND Date: 2004-09-10
Crystal Condition: CND Date: 2004-09-10

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A4 Date: 2004-06-27 Status: Success

Image Directory: /data/jcsg/ssrl/9_1/20040627/screening/cassette140 Date: 2004-09-27
Xtal Quality: 5 Date: 2004-09-27
Ice Rings: 0 Date: 2004-09-27
Diffraction Quality: 4 Date: 2004-09-27
Single Xtal: 1 Date: 2004-09-27
Spot Shape: 7 Date: 2004-09-27
Maximum Resolution: 3 Date: 2004-09-27
Beamline: SSRL BL9-1 Date: 2004-09-27
Robot Y or N: 1 Date: 2004-09-27
Screen Date: 2004-06-27 Date: 2004-09-27
Freezing: CLEAR Date: 2004-09-27
Loop: OK Date: 2004-09-27
Crystal Size: CND Date: 2004-09-27
Crystal Shape: CND Date: 2004-09-27
Crystal Condition: CND Date: 2004-09-27
Comments: trashed-coordinates have been deposited to pdb Date: 2004-09-27

Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A5 Date: 2004-06-27 Status: Success

Image Directory: /data/jcsg/ssrl/9_1/20040627/screening/cassette140 Date: 2004-09-10
Xtal Quality: 3 Date: 2004-09-10
Ice Rings: 1 Date: 2004-09-10
Diffraction Quality: 3 Date: 2004-09-10
Single Xtal: ? Date: 2004-09-10
Spot Shape: 7 Date: 2004-09-10
Maximum Resolution: 4 Date: 2004-09-10
Beamline: SSRL BL9-1 Date: 2004-09-10
Robot Y or N: 1 Date: 2004-09-10
Screen Date: 2004-06-27 Date: 2004-09-10
Freezing: FROST Date: 2004-09-10
Loop: OK Date: 2004-09-10
Crystal Size: CND Date: 2004-09-10
Crystal Shape: CND Date: 2004-09-10
Crystal Condition: CND Date: 2004-09-10

STAGE: Data Collection

Collection: 25059 Cell: 1 Date: 2004-07-08 Status: Success - Backfilled Previous Location: Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A2

CollectData.xml: J--jcsg-xtal_process5-TB0723K-11188-bic-CollectData.xml Date: 2004-07-13
Beamline.xml: J--jcsg-xtal_process5-TB0723K-11188-bic-beamline.xml Date: 2004-07-13
Notes file: J--jcsg-xtal_process5-TB0723K-11188-bic-notes.txt Date: 2004-07-13
Beamline: BL9-1 Date: 2004-07-13
ExperimentType: X-Ray Date: 2004-07-13
Program name: Blu-Ice Date: 2004-07-13
Program version: 4.0 Date: 2004-07-13
Synchrotron: SSRL Date: 2004-07-13
Detector name: Q315 Date: 2004-07-13
Detector type: CCD Date: 2004-07-13
Detector serial: 908 Date: 2004-07-13
Detector manufacturer: ADSC Date: 2004-07-13
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-1.html Date: 2004-07-13
MOSFLM_DETECTOR_PARAMETERS: FINDSPOTS YOFFSET 0.0 LIMITS XMIN 0 XMAX 315 YMIN 0 YMAX 315 XSCAN 157.5 YSCAN 157.5 SCANNER ADSC GAIN 0.6 ADCOFFSET 0 NULLPIX 0 OVERLOAD CUTOFF 65534 PROFILE OPTIMIZE CUTOFF 65535 DISTORTION YSCALE 1.0000 TILT 0 TWIST 0 Date: 2004-07-13
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2004-07-13
DC Date: 2004-07-08 Date: 2004-07-13
Performed By: Hsiu-Ju (Jessica) Chiu Date: 2004-07-13
Temperature (K): 100 Date: 2004-07-13
Beamline: BL9-1 Date: 2004-07-13
ImageDirectory: /data/jcsg/ssrl/9_1/20040708/collection/TB0723K/11188/ Date: 2004-07-13
Description: l1s1 Date: 2004-07-13
Wavelength: 0.979755 Date: 2004-07-13
DetectorMode: undefined Date: 2004-07-13
Distance: 250.000000 Date: 2004-07-13
BeamCenter X: 157.48 Date: 2004-07-13
BeamCenter Y: 157.27 Date: 2004-07-13
ImagePrefix: 11188_1 Date: 2004-07-13
ImageSuffix: img Date: 2004-07-13
PhiDelta: 0.500000 Date: 2004-07-13
PhiStart: 60.000000 Date: 2004-07-13
FrameNumber start: 1 Date: 2004-07-13
FrameNumber end: 16 Date: 2004-07-13
HPSS Backup Directory: /data/jcsg/ssrl/9_1/20040708/collection/TB0723K/11188/ Date: 2005-03-23

Collection: 25059 Cell: 2 Date: 2004-07-08 Status: Success - Backfilled Previous Location: Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A2

CollectData.xml: J--jcsg-xtal_process5-TB0723K-11188-bic-CollectData.xml Date: 2004-07-13
Beamline.xml: J--jcsg-xtal_process5-TB0723K-11188-bic-beamline.xml Date: 2004-07-13
Notes file: J--jcsg-xtal_process5-TB0723K-11188-bic-notes.txt Date: 2004-07-13
Beamline: BL9-1 Date: 2004-07-13
ExperimentType: X-Ray Date: 2004-07-13
Program name: Blu-Ice Date: 2004-07-13
Program version: 4.0 Date: 2004-07-13
Synchrotron: SSRL Date: 2004-07-13
Detector name: Q315 Date: 2004-07-13
Detector type: CCD Date: 2004-07-13
Detector serial: 908 Date: 2004-07-13
Detector manufacturer: ADSC Date: 2004-07-13
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-1.html Date: 2004-07-13
MOSFLM_DETECTOR_PARAMETERS: FINDSPOTS YOFFSET 0.0 LIMITS XMIN 0 XMAX 315 YMIN 0 YMAX 315 XSCAN 157.5 YSCAN 157.5 SCANNER ADSC GAIN 0.6 ADCOFFSET 0 NULLPIX 0 OVERLOAD CUTOFF 65534 PROFILE OPTIMIZE CUTOFF 65535 DISTORTION YSCALE 1.0000 TILT 0 TWIST 0 Date: 2004-07-13
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2004-07-13
DC Date: 2004-07-08 Date: 2004-07-13
Performed By: Hsiu-Ju (Jessica) Chiu Date: 2004-07-13
Temperature (K): 100 Date: 2004-07-13
Beamline: BL9-1 Date: 2004-07-13
ImageDirectory: /data/jcsg/ssrl/9_1/20040708/collection/TB0723K/11188/ Date: 2004-07-13
Description: l1s2 Date: 2004-07-13
Wavelength: 0.979755 Date: 2004-07-13
DetectorMode: undefined Date: 2004-07-13
Distance: 179.997460 Date: 2004-07-13
BeamCenter X: 157.48 Date: 2004-07-13
BeamCenter Y: 157.27 Date: 2004-07-13
ImagePrefix: 11188_2 Date: 2004-07-13
ImageSuffix: img Date: 2004-07-13
PhiDelta: 0.500000 Date: 2004-07-13
PhiStart: 60.000000 Date: 2004-07-13
FrameNumber start: 1 Date: 2004-07-13
FrameNumber end: 180 Date: 2004-07-13
HPSS Backup Directory: /data/jcsg/ssrl/9_1/20040708/collection/TB0723K/11188/ Date: 2005-03-23

Collection: 25059 Cell: 3 Date: 2004-07-08 Status: Success - Backfilled Previous Location: Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A2

CollectData.xml: J--jcsg-xtal_process5-TB0723K-11188-bic-CollectData.xml Date: 2004-07-13
Beamline.xml: J--jcsg-xtal_process5-TB0723K-11188-bic-beamline.xml Date: 2004-07-13
Notes file: J--jcsg-xtal_process5-TB0723K-11188-bic-notes.txt Date: 2004-07-13
Beamline: BL9-1 Date: 2004-07-13
ExperimentType: X-Ray Date: 2004-07-13
Program name: Blu-Ice Date: 2004-07-13
Program version: 4.0 Date: 2004-07-13
Synchrotron: SSRL Date: 2004-07-13
Detector name: Q315 Date: 2004-07-13
Detector type: CCD Date: 2004-07-13
Detector serial: 908 Date: 2004-07-13
Detector manufacturer: ADSC Date: 2004-07-13
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-1.html Date: 2004-07-13
MOSFLM_DETECTOR_PARAMETERS: FINDSPOTS YOFFSET 0.0 LIMITS XMIN 0 XMAX 315 YMIN 0 YMAX 315 XSCAN 157.5 YSCAN 157.5 SCANNER ADSC GAIN 0.6 ADCOFFSET 0 NULLPIX 0 OVERLOAD CUTOFF 65534 PROFILE OPTIMIZE CUTOFF 65535 DISTORTION YSCALE 1.0000 TILT 0 TWIST 0 Date: 2004-07-13
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2004-07-13
DC Date: 2004-07-08 Date: 2004-07-13
Performed By: Hsiu-Ju (Jessica) Chiu Date: 2004-07-13
Temperature (K): 100 Date: 2004-07-13
Beamline: BL9-1 Date: 2004-07-13
ImageDirectory: /data/jcsg/ssrl/9_1/20040708/collection/TB0723K/11188/ Date: 2004-07-13
Description: l1s3 Date: 2004-07-13
Wavelength: 0.979755 Date: 2004-07-13
DetectorMode: undefined Date: 2004-07-13
Distance: 179.997460 Date: 2004-07-13
BeamCenter X: 157.48 Date: 2004-07-13
BeamCenter Y: 157.27 Date: 2004-07-13
ImagePrefix: 11188_3 Date: 2004-07-13
ImageSuffix: img Date: 2004-07-13
PhiDelta: 0.500000 Date: 2004-07-13
PhiStart: 150.000000 Date: 2004-07-13
FrameNumber start: 1 Date: 2004-07-13
FrameNumber end: 80 Date: 2004-07-13
HPSS Backup Directory: /data/jcsg/ssrl/9_1/20040708/collection/TB0723K/11188/ Date: 2005-03-23

Collection: 25059 Cell: 4 Date: 2004-07-08 Status: Success - Backfilled Previous Location: Dewar: 24785 (Groucho-06/16/2004) Cassette: SSRL 00140 (SSRL 00140Groucho-06/16/2004) Cell: A2

CollectData.xml: J--jcsg-xtal_process5-TB0723K-11188-bic-CollectData.xml Date: 2004-07-13
Beamline.xml: J--jcsg-xtal_process5-TB0723K-11188-bic-beamline.xml Date: 2004-07-13
Notes file: J--jcsg-xtal_process5-TB0723K-11188-bic-notes.txt Date: 2004-07-13
Beamline: BL9-1 Date: 2004-07-13
ExperimentType: X-Ray Date: 2004-07-13
Program name: Blu-Ice Date: 2004-07-13
Program version: 4.0 Date: 2004-07-13
Synchrotron: SSRL Date: 2004-07-13
Detector name: Q315 Date: 2004-07-13
Detector type: CCD Date: 2004-07-13
Detector serial: 908 Date: 2004-07-13
Detector manufacturer: ADSC Date: 2004-07-13
BeamlineInfoURL: http://biosync.sdsc.edu/ssrl/BL9-1.html Date: 2004-07-13
MOSFLM_DETECTOR_PARAMETERS: FINDSPOTS YOFFSET 0.0 LIMITS XMIN 0 XMAX 315 YMIN 0 YMAX 315 XSCAN 157.5 YSCAN 157.5 SCANNER ADSC GAIN 0.6 ADCOFFSET 0 NULLPIX 0 OVERLOAD CUTOFF 65534 PROFILE OPTIMIZE CUTOFF 65535 DISTORTION YSCALE 1.0000 TILT 0 TWIST 0 Date: 2004-07-13
MOSFLM_BEAMLINE_PARAMETERS: SYNCHROTRON POLARIZATION 0.92 DIVERGENCE 0.250 0.030 DISPERSION 0.00020 Date: 2004-07-13
DC Date: 2004-07-08 Date: 2004-07-13
Performed By: Hsiu-Ju (Jessica) Chiu Date: 2004-07-13
Temperature (K): 100 Date: 2004-07-13
Beamline: BL9-1 Date: 2004-07-13
ImageDirectory: /data/jcsg/ssrl/9_1/20040708/collection/TB0723K/11188/ Date: 2004-07-13
Description: l1s4 Date: 2004-07-13
Wavelength: 0.979755 Date: 2004-07-13
DetectorMode: undefined Date: 2004-07-13
Distance: 250.000000 Date: 2004-07-13
BeamCenter X: 157.48 Date: 2004-07-13
BeamCenter Y: 157.27 Date: 2004-07-13
ImagePrefix: 11188_4 Date: 2004-07-13
ImageSuffix: img Date: 2004-07-13
PhiDelta: 0.500000 Date: 2004-07-13
PhiStart: 60.000000 Date: 2004-07-13
FrameNumber start: 1 Date: 2004-07-13
FrameNumber end: 260 Date: 2004-07-13
HPSS Backup Directory: /data/jcsg/ssrl/9_1/20040708/collection/TB0723K/11188/ Date: 2005-03-23

STAGE: Integration

Collection: 25061 Cell: 1 Date: 2004-07-13 Status: Success - Backfilled Previous Location: Collection: 25059 Cell: 1

Integration Log File: J--jcsg-xtal_process5-TB0723K-11188-try1-integrate-r3-lambda1-sweep1-integrate.log Date: 2004-07-13
Integration Reflection File: J--jcsg-xtal_process5-TB0723K-11188-try1-integrate-r3-lambda1-sweep1-integrate.mtz Date: 2004-07-13
Integration Name: l1s1 Date: 2004-07-13
Integration Comments: integrate in r3 Date: 2004-07-13
Performed By: 80 Date: 2004-07-13
Integration Program: MOSFLM Date: 2004-07-13
Program Version: 6.2.2 Date: 2004-07-13

Collection: 25061 Cell: 2 Date: 2004-07-13 Status: Success - Backfilled Previous Location: Collection: 25059 Cell: 2

Integration Log File: J--jcsg-xtal_process5-TB0723K-11188-try1-integrate-r3-lambda1-sweep2-integrate.log Date: 2004-07-13
Integration Reflection File: J--jcsg-xtal_process5-TB0723K-11188-try1-integrate-r3-lambda1-sweep2-integrate.mtz Date: 2004-07-13
Integration Name: l1s2 Date: 2004-07-13
Integration Comments: integrate in r3 Date: 2004-07-13
Performed By: 80 Date: 2004-07-13
Integration Program: MOSFLM Date: 2004-07-13
Program Version: 6.2.2 Date: 2004-07-13

Collection: 25061 Cell: 3 Date: 2004-07-13 Status: Success - Backfilled Previous Location: Collection: 25059 Cell: 3

Integration Log File: J--jcsg-xtal_process5-TB0723K-11188-try1-integrate-r3-lambda1-sweep3-integrate.log Date: 2004-07-13
Integration Reflection File: J--jcsg-xtal_process5-TB0723K-11188-try1-integrate-r3-lambda1-sweep3-integrate.mtz Date: 2004-07-13
Integration Name: l1s3 Date: 2004-07-13
Integration Comments: integrate in r3 Date: 2004-07-13
Performed By: 80 Date: 2004-07-13
Integration Program: MOSFLM Date: 2004-07-13
Program Version: 6.2.2 Date: 2004-07-13

Collection: 25061 Cell: 4 Date: 2004-07-13 Status: Success - Backfilled Previous Location: Collection: 25059 Cell: 4

Integration Log File: J--jcsg-xtal_process5-TB0723K-11188-try1-integrate-r3-lambda1-sweep4-integrate.log Date: 2004-07-13
Integration Reflection File: J--jcsg-xtal_process5-TB0723K-11188-try1-integrate-r3-lambda1-sweep4-integrate.mtz Date: 2004-07-13
Integration Name: l1s4 Date: 2004-07-13
Integration Comments: integrate in r3 Date: 2004-07-13
Performed By: 80 Date: 2004-07-13
Integration Program: MOSFLM Date: 2004-07-13
Program Version: 6.2.2 Date: 2004-07-13

Collection: 25061 Cell: 5 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25059 Cell: 1

Integration Log File: INTEGRATE.LP Date: 2004-09-24
Integration Reflection File: INTEGRATE.HKL Date: 2004-09-24
Integration Name: l1s1-xds Date: 2004-09-24
Performed By: 79 Date: 2004-09-24

Collection: 25061 Cell: 6 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25059 Cell: 2

Integration Log File: INTEGRATE.LP Date: 2004-09-24
Integration Reflection File: INTEGRATE.HKL Date: 2004-09-24
Integration Name: l1s2-xds Date: 2004-09-24
Performed By: 79 Date: 2004-09-24

Collection: 25061 Cell: 7 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25059 Cell: 3

Integration Log File: INTEGRATE.LP Date: 2004-09-24
Integration Reflection File: INTEGRATE.HKL Date: 2004-09-24
Integration Name: l1s3-xds Date: 2004-09-24
Performed By: 79 Date: 2004-09-24

Collection: 25061 Cell: 8 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25059 Cell: 4

Integration Log File: INTEGRATE.LP Date: 2004-09-24
Integration Reflection File: INTEGRATE.HKL Date: 2004-09-24
Integration Name: l1s4-xds Date: 2004-09-24
Performed By: 79 Date: 2004-09-24

STAGE: Scaling

Collection: 25062 Cell: 1 Date: 2004-07-13 Status: Success - Backfilled Previous Location: Collection: 25061 Cell: 4 Collection: 25061 Cell: 1 Collection: 25061 Cell: 3 Collection: 25061 Cell: 2

Scale Log File: J--jcsg-xtal_process5-TB0723K-11188-try1-scale-r3-lambda1-scale.log Date: 2004-07-13
Scale Reflection File: J--jcsg-xtal_process5-TB0723K-11188-try1-scale-r3-lambda1-scale.mtz Date: 2004-07-13
Scale Name: l1 Date: 2004-07-13
Scale Comments: automatic processing results look good, so they are uploaded scale in r3 Date: 2004-07-13
Performed By: 80 Date: 2004-07-13
Scaling program: SCALA Date: 2005-08-24
Program Version: 3.1.9 Date: 2005-08-24
Space group: H3 Date: 2004-12-14
Cell A: 79.4435 Date: 2005-08-24
Cell B: 79.4435 Date: 2005-08-24
Cell C: 50.7761 Date: 2005-08-24
Angle Alpha: 90.0000 Date: 2005-08-24
Angle Beta: 90.0000 Date: 2005-08-24
Angle Gamma: 120.0000 Date: 2005-08-24
High resolution overall: 1.360 Date: 2005-08-24
Low resolution overall: 40.826 Date: 2005-08-24
Completeness overall: 97.8 Date: 2005-08-24
Redundancy overall: 6.0 Date: 2005-08-24
Rsym(I) overall: 0.061 Date: 2005-08-24
I/sigma(I) overall: 17.4 Date: 2005-08-24
High resolution limit for highest resolution shell: 1.36 Date: 2005-08-24
Low resolution limit for highest resolution shell: 1.40 Date: 2005-08-24
Completeness shell: 90.9 Date: 2005-08-24
Redundancy shell: 2.3 Date: 2005-08-24
Rsym(I) shell: 0.449 Date: 2005-08-24
I/sigma(I) shell: 1.6 Date: 2005-08-24
Observed reflections overall: 25068 Date: 2005-08-24
Unmerged HKL File: J--jcsg-xtal_process5-TB0723K-11188-try1-scale-r3-lambda1-nomerge.sca Date: 2004-07-13

Collection: 25062 Cell: 2 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25061 Cell: 8 Collection: 25061 Cell: 5 Collection: 25061 Cell: 7 Collection: 25061 Cell: 6

Scale Log File: w0.9797-scala.log Date: 2004-09-24
Scale Reflection File: w0.9797-scala.mtz Date: 2004-09-24
Scale Name: w0.9797-xds Date: 2004-09-24
Scale Comments: scaled in xds/xscale Date: 2004-09-24
Performed By: 79 Date: 2004-09-24
Scaling program: SCALA Date: 2005-08-24
Program Version: 3.2.5 Date: 2005-08-24
Space group: H3 Date: 2005-08-24
Cell A: 79.4062 Date: 2005-08-24
Cell B: 79.4062 Date: 2005-08-24
Cell C: 50.6879 Date: 2005-08-24
Angle Alpha: 90.0000 Date: 2005-08-24
Angle Beta: 90.0000 Date: 2005-08-24
Angle Gamma: 120.0000 Date: 2005-08-24
High resolution overall: 1.310 Date: 2005-08-24
Low resolution overall: 23.131 Date: 2005-08-24
Completeness overall: 96.3 Date: 2005-08-24
Redundancy overall: 5.9 Date: 2005-08-24
Rsym(I) overall: 0.072 Date: 2005-08-24
I/sigma(I) overall: 14.6 Date: 2005-08-24
High resolution limit for highest resolution shell: 1.31 Date: 2005-08-24
Low resolution limit for highest resolution shell: 1.38 Date: 2005-08-24
Completeness shell: 85.5 Date: 2005-08-24
Redundancy shell: 1.9 Date: 2005-08-24
Rsym(I) shell: 0.654 Date: 2005-08-24
I/sigma(I) shell: 1.7 Date: 2005-08-24
Observed reflections overall: 27579 Date: 2005-08-24
Unmerged HKL File: w0.9797-SCALEPACK.sca Date: 2004-09-24
Number of reflections: 162536 Date: 2005-08-24

STAGE: Truncating

Collection: 25063 Cell: 1 Date: 2004-07-13 Status: Success - Backfilled Previous Location: Collection: 25062 Cell: 1

Truncate Name: l1 Date: 2004-07-13
Truncate Comments: automatic processing results are uploaded scale in r3 Date: 2004-07-13
Performed By: 80 Date: 2004-07-13
Truncate Log File: J--jcsg-xtal_process5-TB0723K-11188-try1-truncate-r3-nmol1-lambda1-truncate.log Date: 2004-07-13
Truncate Reflection File: J--jcsg-xtal_process5-TB0723K-11188-try1-truncate-r3-nmol1-lambda1-truncate.mtz Date: 2004-07-13
truncate program version: 4.2 Date: 2005-08-22
Unique reflections overall: 25052 Date: 2005-08-22
Wilson_Bfact: 17.805 Date: 2005-08-22
Cell A: 79.4611 Date: 2005-08-22
Cell B: 79.4611 Date: 2005-08-22
Cell C: 50.7155 Date: 2005-08-22
Angle Alpha: 90.0000 Date: 2005-08-22
Angle Beta: 90.0000 Date: 2005-08-22
Angle Gamma: 120.0000 Date: 2005-08-22

Collection: 25063 Cell: 2 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25062 Cell: 2

Truncate Name: w0.9797-xds-truncate Date: 2004-09-24
Performed By: 79 Date: 2004-09-24
Truncate Log File: w0.9797-truncate.log Date: 2004-09-24
Truncate Reflection File: w0.9797-truncate-unique.mtz Date: 2004-09-24
truncate program version: 5.0 Date: 2005-08-22
Unique reflections overall: 165468 Date: 2005-08-22
Wilson_Bfact: 16.632 Date: 2005-08-22
Cell A: 79.4062 Date: 2005-08-22
Cell B: 79.4062 Date: 2005-08-22
Cell C: 50.6879 Date: 2005-08-22
Angle Alpha: 90.0000 Date: 2005-08-22
Angle Beta: 90.0000 Date: 2005-08-22
Angle Gamma: 120.0000 Date: 2005-08-22

STAGE: Phasing

Collection: 27462 Cell: 1 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25063 Cell: 2

Name of phasing run: molrep-mr Date: 2004-09-24
Performed By: 79 Date: 2004-09-24
Phasing Comments: mr using TB0723G wARP results directly, no rigid body was done, no restraint refinement was done directly into wARP Date: 2004-09-24
MR search log: 2_molrep.log Date: 2004-09-24
MR PDB: 2_warpNtrace_molrep1.pdb Date: 2004-09-24
Solution Type: MR Date: 2004-09-24
Reference PDB ids: 1vmf Date: 2004-09-24

STAGE: Tracing

Collection: 27464 Cell: 1 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25063 Cell: 2 Collection: 27462 Cell: 1

Name of tracing run: wARP 6.1 Date: 2004-09-24
Performed By: 79 Date: 2004-09-24
Tracing program: CCP4 - Arp Warp Date: 2004-09-24
Tracing log file: 3_arp_warp.log Date: 2004-09-24
Tracing reflection file: 3_warpNtrace.mtz Date: 2004-09-24
Tracing PDB: 3_warpNtrace.pdb Date: 2004-09-24
Tracing Program Version: 1.3.9 Date: 2004-09-24

STAGE: MR Tracing

Collection: 27463 Cell: 1 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 27462 Cell: 1

STAGE: Refining

Collection: 27465 Cell: 1 Date: 2004-09-24 Status: Success - Backfilled Previous Location: Collection: 25063 Cell: 2 Collection: 27464 Cell: 1 Collection: 27462 Cell: 1

Name of refinement run: ref1 Date: 2004-09-24
Performed By: 79 Date: 2004-09-24
Refinement Comments: refined by Qingping, QC'ed by Herb trimer by crystallographic symmetry homolog TB0723G,TB0723K,TM0723,TB0723W Date: 2004-09-24
REFINEMENT TARGET :: MAXIMUM LIKELIHOOD Date: 2004-12-20
RESOLUTION RANGE HIGH:: 1.31 Date: 2004-12-20
RESOLUTION RANGE LOW:: 40.79 Date: 2004-12-20
DATA CUTOFF (SIGMA(F)) :: NONE Date: 2004-12-20
COMPLETENESS (WORKING+TEST) (%) :: 96.25 Date: 2004-12-20
NUMBER OF REFLECTIONS :: 26191 Date: 2004-12-20
CROSS-VALIDATION METHOD :: THROUGHOUT Date: 2004-12-20
FREE R VALUE TEST SET SELECTION :: RANDOM Date: 2004-12-20
R VALUE (WORKING SET) :: 0.15740 Date: 2004-12-20
FREE R VALUE :: 0.18503 Date: 2004-12-20
FREE R VALUE TEST SET SIZE (%) :: 5.0 Date: 2004-12-20
FREE R VALUE TEST SET COUNT :: 1388 Date: 2004-12-20
TOTAL NUMBER OF BINS USED :: 20 Date: 2004-12-20
BIN RESOLUTION RANGE HIGH (A) :: 1.310 Date: 2004-12-20
BIN RESOLUTION RANGE LOW (A) :: 1.344 Date: 2004-12-20
REFLECTIONS IN BIN (WORKING SET) :: 1662 Date: 2004-12-20
BIN R VALUE (WORKING SET) :: 0.289 Date: 2004-12-20
BIN FREE R VALUE :: 0.342 Date: 2004-12-20
BIN FREE R VALUE TEST SET COUNT :: 90 Date: 2004-12-20
MEAN B VALUE (OVERALL, A**2) :: 15.267 Date: 2004-12-20
OVERALL ANISOTROPIC B VALUE B11 (A**2) :: -0.03 Date: 2004-12-20
OVERALL ANISOTROPIC B VALUE B22 (A**2) :: -0.03 Date: 2004-12-20
OVERALL ANISOTROPIC B VALUE B33 (A**2) :: 0.04 Date: 2004-12-20
OVERALL ANISOTROPIC B VALUE B12 (A**2) :: -0.01 Date: 2004-12-20
OVERALL ANISOTROPIC B VALUE B13 (A**2) :: 0.00 Date: 2004-12-20
OVERALL ANISOTROPIC B VALUE B23 (A**2) :: 0.00 Date: 2004-12-20
SPACE GROUP: H3 Date: 2004-12-20
MAIN-CHAIN ANGLE RMS (A**2) :: 1.339 Date: 2004-12-20
BOND LENGTHS RMS DEVIATIONS (A) :: 0.013 Date: 2004-12-20
Refinement Log: b11.ref.log Date: 2004-09-24
Reflection File: refmac.mtz Date: 2004-09-24
PDB file: Final.pdb Date: 2004-09-24
Program: REFMAC Date: 2004-12-20
Version: 5.2.0005 Date: 2004-12-20
Cell A: 79.406 Date: 2004-12-20
Cell B: 79.406 Date: 2004-12-20
Cell C: 50.688 Date: 2004-12-20
Angle Alpha: 90.00 Date: 2004-12-20
Angle Beta: 90.00 Date: 2004-12-20
Angle Gamma: 120.00 Date: 2004-12-20
ALL ATOMS: 1172 Date: 2004-12-20
ESU BASED ON R VALUE: 0.050 Date: 2004-12-20
ESU BASED ON FREE R VALUE: 0.053 Date: 2004-12-20
ESU BASED ON MAXIMUM LIKELIHOOD: 0.042 Date: 2004-12-20
ESU FOR B VALUE BASED ON MAXIMUM LIKELIHOOD: 2.048 Date: 2004-12-20
CORRELATION COEFFICIENT FO-FC: 0.977 Date: 2004-12-20
CORRELATION COEFFICIENT FO-FC FREE: 0.965 Date: 2004-12-20
BOND LENGTHS REFINED ATOMS - LENGTH COUNT: 1030 Date: 2004-12-20
BOND LENGTHS REFINED ATOMS - LENGTH WEIGHT: 0.022 Date: 2004-12-20
BOND ANGLES REFINED ATOMS - ANGLE WEIGHT: 1.944 Date: 2004-12-20
CHIRAL-CENTER RESTRAINTS RMS: 0.097 Date: 2004-12-20
TORSION ANGLES, PERIOD COUNT: 128::48::180::3 Date: 2004-12-20
TORSION ANGLES, PERIOD RMS: 5.497::41.518::12.187::19.779 Date: 2004-12-20
TORSION ANGLES, PERIOD WEIGHT: 5.000::25.833::15.000::15.000 Date: 2004-12-20
CHIRAL-CENTER RESTRAINTS COUNT: 164 Date: 2004-12-20
CHIRAL-CENTER RESTRAINTS WEIGHT: 0.200 Date: 2004-12-20
GENERAL PLANES REFINED ATOMS COUNT: 1143 Date: 2004-12-20
GENERAL PLANES REFINED ATOMS RMS: 0.006 Date: 2004-12-20
GENERAL PLANES REFINED ATOMS WEIGHT: 0.020 Date: 2004-12-20
NON-BONDED CONTACTS REFINED ATOMS COUNT: 181 Date: 2004-12-20
NON-BONDED CONTACTS REFINED ATOMS RMS: 0.208 Date: 2004-12-20
NON-BONDED CONTACTS REFINED ATOMS WEIGHT: 0.200 Date: 2004-12-20
NON-BONDED CONTACTS OTHERS COUNT: 881 Date: 2004-12-20
NON-BONDED CONTACTS OTHERS RMS: 0.171 Date: 2004-12-20
NON-BONDED CONTACTS OTHERS WEIGHT: 0.200 Date: 2004-12-20
H-BOND COUNT: 118 Date: 2004-12-20
H-BOND RMS: 0.142 Date: 2004-12-20
H-BOND WEIGHT: 0.200 Date: 2004-12-20
SYMMETRY VDW REFINED ATOMS COUNT: 8 Date: 2004-12-20
SYMMETRY VDW REFINED ATOMS RMS: 0.360 Date: 2004-12-20
SYMMETRY VDW REFINED ATOMS WEIGHT: 0.200 Date: 2004-12-20
MAIN-CHAIN BOND REFINED ATOMS COUNT: 643 Date: 2004-12-20
MAIN-CHAIN BOND REFINED ATOMS RMS: 1.483 Date: 2004-12-20