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- PDB-5vsw: X-ray crystal structure of Escherichia coli RNA polymerase and Dk... -

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Basic information

Entry
Database: PDB / ID: 5vsw
TitleX-ray crystal structure of Escherichia coli RNA polymerase and DksA/ppGpp complex
Components
  • (DNA-directed RNA polymerase subunit ...) x 4
  • RNA polymerase sigma factor RpoD
  • RNA polymerase-binding transcription factor DksA
Keywordstransferase/dna / RNA polymerase / DksA / ppGpp / transferase-dna complex
Function / homology
Function and homology information


sigma factor antagonist complex / guanosine tetraphosphate binding / RNA polymerase complex / submerged biofilm formation / cellular response to cell envelope stress / regulation of DNA-templated transcription initiation / sigma factor activity / bacterial-type flagellum assembly / bacterial-type RNA polymerase core enzyme binding / cytosolic DNA-directed RNA polymerase complex ...sigma factor antagonist complex / guanosine tetraphosphate binding / RNA polymerase complex / submerged biofilm formation / cellular response to cell envelope stress / regulation of DNA-templated transcription initiation / sigma factor activity / bacterial-type flagellum assembly / bacterial-type RNA polymerase core enzyme binding / cytosolic DNA-directed RNA polymerase complex / bacterial-type flagellum-dependent cell motility / nitrate assimilation / regulation of DNA-templated transcription elongation / transcription elongation factor complex / transcription antitermination / DNA-directed RNA polymerase complex / cell motility / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / double-strand break repair / response to heat / protein-containing complex assembly / intracellular iron ion homeostasis / protein dimerization activity / transcription cis-regulatory region binding / response to antibiotic / negative regulation of DNA-templated transcription / regulation of DNA-templated transcription / DNA-templated transcription / magnesium ion binding / DNA binding / zinc ion binding / membrane / cytoplasm / cytosol
Similarity search - Function
RNA polymerase-binding transcription factor DksA / : / DnaK suppressor protein DksA, N-terminal domain / DksA, N-terminal domain superfamily / Zinc finger, DksA/TraR C4-type conserved site / Zinc finger, DksA/TraR C4-type, bacteria / Prokaryotic dksA C4-type zinc finger. / Zinc finger, DksA/TraR C4-type / Prokaryotic dksA/traR C4-type zinc finger / Prokaryotic dksA C4-type zinc finger profiles. ...RNA polymerase-binding transcription factor DksA / : / DnaK suppressor protein DksA, N-terminal domain / DksA, N-terminal domain superfamily / Zinc finger, DksA/TraR C4-type conserved site / Zinc finger, DksA/TraR C4-type, bacteria / Prokaryotic dksA C4-type zinc finger. / Zinc finger, DksA/TraR C4-type / Prokaryotic dksA/traR C4-type zinc finger / Prokaryotic dksA C4-type zinc finger profiles. / RNA polymerase sigma factor 70, non-essential domain / Sigma-70, non-essential region / RNA polymerase sigma factor 70, region 1.1 / Sigma-70 factor, region 1.1 superfamily / Sigma-70 factor, region 1.1 / Sigma-70 factors family signature 1. / RNA polymerase sigma factor RpoD, C-terminal / RNA polymerase sigma factor RpoD / : / RNA polymerase sigma-70 region 1.2 / Sigma-70 factor, region 1.2 / RNA polymerase sigma-70 region 3 / Sigma-70 region 3 / Sigma-70 factors family signature 2. / RNA polymerase sigma-70 / RNA polymerase sigma-70 region 4 / Sigma-70, region 4 / RNA polymerase sigma-70 region 2 / RNA polymerase sigma-70 like domain / Sigma-70 region 2 / RNA polymerase sigma factor, region 2 / RNA polymerase sigma factor, region 3/4-like / DNA-directed RNA polymerase, omega subunit / DNA-directed RNA polymerase, subunit beta-prime, bacterial type / DNA-directed RNA polymerase, beta subunit, external 1 domain superfamily / DNA-directed RNA polymerase, beta subunit, external 1 domain / RNA polymerase beta subunit external 1 domain / RNA polymerase, alpha subunit, C-terminal / Bacterial RNA polymerase, alpha chain C terminal domain / DNA-directed RNA polymerase beta subunit, bacterial-type / DNA-directed RNA polymerase, alpha subunit / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 3 superfamily / RPB6/omega subunit-like superfamily / DNA-directed RNA polymerase, insert domain / DNA-directed RNA polymerase, RpoA/D/Rpb3-type / RNA polymerase Rpb3/RpoA insert domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerases D / RNA polymerase Rpb1, clamp domain superfamily / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 4 / DNA-directed RNA polymerase, insert domain superfamily / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb2, domain 2 / RNA polymerase, N-terminal / RNA polymerase, RBP11-like subunit / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase I subunit A N-terminus / RNA polymerase, beta subunit, conserved site / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerase Rpb2, OB-fold / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerases beta chain signature. / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain / DNA-directed RNA polymerase, subunit 2 / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain superfamily / RNA polymerase Rpb2, domain 6 / Winged helix-like DNA-binding domain superfamily
Similarity search - Domain/homology
GUANOSINE-5',3'-TETRAPHOSPHATE / RNA polymerase sigma factor RpoD / DNA-directed RNA polymerase subunit alpha / DNA-directed RNA polymerase subunit omega / DNA-directed RNA polymerase subunit beta' / DNA-directed RNA polymerase subunit beta / RNA polymerase-binding transcription factor DksA
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MIR / Resolution: 4.295 Å
AuthorsMurakami, K.S. / Molodtsov, V.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM087350 United States
CitationJournal: Mol. Cell / Year: 2018
Title: Allosteric Effector ppGpp Potentiates the Inhibition of Transcript Initiation by DksA.
Authors: Molodtsov, V. / Sineva, E. / Zhang, L. / Huang, X. / Cashel, M. / Ades, S.E. / Murakami, K.S.
History
DepositionMay 12, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 14, 2017Provider: repository / Type: Initial release
Revision 1.1Aug 23, 2017Group: Data collection / Category: diffrn_detector / Item: _diffrn_detector.detector
Revision 1.2Sep 20, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3Feb 7, 2018Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.title / _citation.year
Revision 1.4Mar 14, 2018Group: Database references / Category: citation
Item: _citation.journal_abbrev / _citation.journal_id_ISSN ..._citation.journal_abbrev / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.5Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.6Mar 13, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA-directed RNA polymerase subunit alpha
B: DNA-directed RNA polymerase subunit alpha
C: DNA-directed RNA polymerase subunit beta
D: DNA-directed RNA polymerase subunit beta'
E: DNA-directed RNA polymerase subunit omega
F: RNA polymerase sigma factor RpoD
G: DNA-directed RNA polymerase subunit alpha
H: DNA-directed RNA polymerase subunit alpha
I: DNA-directed RNA polymerase subunit beta
J: DNA-directed RNA polymerase subunit beta'
K: DNA-directed RNA polymerase subunit omega
L: RNA polymerase sigma factor RpoD
M: RNA polymerase-binding transcription factor DksA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)939,55423
Polymers937,36813
Non-polymers2,18510
Water00
1
A: DNA-directed RNA polymerase subunit alpha
B: DNA-directed RNA polymerase subunit alpha
C: DNA-directed RNA polymerase subunit beta
D: DNA-directed RNA polymerase subunit beta'
E: DNA-directed RNA polymerase subunit omega
F: RNA polymerase sigma factor RpoD
M: RNA polymerase-binding transcription factor DksA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)478,88813
Polymers477,4627
Non-polymers1,4276
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
G: DNA-directed RNA polymerase subunit alpha
H: DNA-directed RNA polymerase subunit alpha
I: DNA-directed RNA polymerase subunit beta
J: DNA-directed RNA polymerase subunit beta'
K: DNA-directed RNA polymerase subunit omega
L: RNA polymerase sigma factor RpoD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)460,66510
Polymers459,9076
Non-polymers7584
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)187.274, 205.259, 311.313
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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DNA-directed RNA polymerase subunit ... , 4 types, 10 molecules ABGHCIDJEK

#1: Protein
DNA-directed RNA polymerase subunit alpha / RNAP subunit alpha / RNA polymerase subunit alpha / Transcriptase subunit alpha


Mass: 36558.680 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: rpoA, pez, phs, sez, b3295, JW3257 / Production host: unidentified plasmid (others) / References: UniProt: P0A7Z4, DNA-directed RNA polymerase
#2: Protein DNA-directed RNA polymerase subunit beta / RNAP subunit beta / RNA polymerase subunit beta / Transcriptase subunit beta


Mass: 150820.875 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12
Gene: rpoB, groN, nitB, rif, ron, stl, stv, tabD, b3987, JW3950
Production host: unidentified plasmid (others) / References: UniProt: P0A8V2, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase subunit beta' / RNAP subunit beta' / RNA polymerase subunit beta' / Transcriptase subunit beta'


Mass: 155366.781 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: rpoC, tabB, b3988, JW3951 / Production host: unidentified plasmid (others) / References: UniProt: P0A8T7, DNA-directed RNA polymerase
#4: Protein DNA-directed RNA polymerase subunit omega / RNAP omega subunit / RNA polymerase omega subunit / Transcriptase subunit omega


Mass: 10249.547 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: rpoZ, b3649, JW3624 / Production host: unidentified plasmid (others) / References: UniProt: P0A800, DNA-directed RNA polymerase

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Protein , 2 types, 3 molecules FLM

#5: Protein RNA polymerase sigma factor RpoD / Sigma-70


Mass: 70352.242 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: rpoD, alt, b3067, JW3039 / Production host: unidentified plasmid (others) / References: UniProt: P00579
#6: Protein RNA polymerase-binding transcription factor DksA / DnaK suppressor protein


Mass: 17554.787 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: dksA, b0145, JW0141 / Production host: unidentified plasmid (others) / References: UniProt: P0ABS1

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Non-polymers , 3 types, 10 molecules

#7: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#8: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Zn
#9: Chemical ChemComp-G4P / GUANOSINE-5',3'-TETRAPHOSPHATE / guanosine tetraphosphate;ppGpp


Type: RNA linking / Mass: 603.160 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C10H17N5O17P4

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.19 Å3/Da / Density % sol: 61.46 %
Crystal growTemperature: 300 K / Method: vapor diffusion, hanging drop
Details: 0.1 M HEPES (pH 7.0), 0.2 M calcium acetate, 25 % PEG400, 10 mM DTT

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: F1 / Wavelength: 0.98 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jan 27, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 4.3→50 Å / Num. obs: 78563 / % possible obs: 95.6 % / Redundancy: 6.8 % / Rpim(I) all: 0.058 / Net I/σ(I): 12.2
Reflection shellResolution: 4.3→4.37 Å / Num. unique obs: 3852 / Rpim(I) all: 0.718 / % possible all: 95.3

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MIR / Resolution: 4.295→46.819 Å / SU ML: 0.67 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 30.44 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2594 3794 2.56 %
Rwork0.2206 --
obs0.2216 148103 93.72 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 4.295→46.819 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms57528 0 115 0 57643
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00558506
X-RAY DIFFRACTIONf_angle_d1.07778965
X-RAY DIFFRACTIONf_dihedral_angle_d17.96936202
X-RAY DIFFRACTIONf_chiral_restr0.0538983
X-RAY DIFFRACTIONf_plane_restr0.00510341
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
4.2952-4.34960.36561230.35824832X-RAY DIFFRACTION85
4.3496-4.40670.37261400.35985281X-RAY DIFFRACTION93
4.4067-4.46710.37891380.34515325X-RAY DIFFRACTION93
4.4671-4.53080.36371360.34245277X-RAY DIFFRACTION93
4.5308-4.59840.36051320.32925299X-RAY DIFFRACTION92
4.5984-4.67020.34581320.32385240X-RAY DIFFRACTION92
4.6702-4.74670.30161300.31955171X-RAY DIFFRACTION91
4.7467-4.82850.33911360.30994986X-RAY DIFFRACTION88
4.8285-4.91620.35861350.31055030X-RAY DIFFRACTION88
4.9162-5.01060.34291380.31655091X-RAY DIFFRACTION90
5.0106-5.11280.36431340.30675163X-RAY DIFFRACTION90
5.1128-5.22380.33321400.29355281X-RAY DIFFRACTION93
5.2238-5.34520.32021400.28765336X-RAY DIFFRACTION93
5.3452-5.47860.30691410.28255296X-RAY DIFFRACTION94
5.4786-5.62650.29691420.28445325X-RAY DIFFRACTION94
5.6265-5.79180.30911390.28285320X-RAY DIFFRACTION93
5.7918-5.97840.33951430.27415239X-RAY DIFFRACTION93
5.9784-6.19160.25051460.2745321X-RAY DIFFRACTION93
6.1916-6.43890.29251390.25925347X-RAY DIFFRACTION93
6.4389-6.73110.27611440.24915392X-RAY DIFFRACTION96
6.7311-7.08490.30931470.24395638X-RAY DIFFRACTION99
7.0849-7.52710.22391480.21315681X-RAY DIFFRACTION100
7.5271-8.10550.25641510.19735704X-RAY DIFFRACTION100
8.1055-8.91610.22131490.17245716X-RAY DIFFRACTION100
8.9161-10.19470.2241520.1635668X-RAY DIFFRACTION100
10.1947-12.80060.17891490.14775688X-RAY DIFFRACTION100
12.8006-46.82130.23291500.17475662X-RAY DIFFRACTION99
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
15.59064.0757-1.195.89630.9598-1.1353-0.193-1.0082-0.17230.0549-0.6177-0.15540.3274-0.09640.68733.14660.04090.06252.7377-0.1521.944197.29229.013139.0492
20.15861.04210.18520.6951-0.60450.8807-1.3205-0.092-0.5744-3.1245-0.065-0.4998-0.617-0.14571.23655.75060.3409-0.12525.0436-0.65665.714266.760756.061523.226
32.9614.31280.61436.1029-0.21320.3119-0.0364-0.3724-0.17140.15960.1213-0.34030.4252-0.2378-0.07122.5741-0.53720.65532.86750.33422.103772.4955-6.788235.0985
41.7191-0.0181-0.36521.7919-1.6322.62130.39050.1666-0.43950.2233-0.3756-0.1225-0.80270.39840.0292.2317-0.2362-0.03862.0843-0.04092.0862134.264244.1157-7.8839
50.8827-0.0004-0.14911.1068-0.03780.90490.08740.2364-0.4573-1.0561-0.3309-0.6237-0.41060.27550.0922.6349-0.00990.28642.61220.16082.4891139.632818.0358-41.2168
60.46321.36620.54792.67560.20353.083-0.18470.4216-0.216-0.71570.0641-0.03790.43930.3030.13111.5658-0.00940.02122.22540.04471.9383128.781923.604-6.4874
71.1675-0.17690.55240.95870.48141.3788-0.0548-0.4770.3060.4415-0.0461-0.2902-0.20270.04150.09361.992-0.1848-0.07882.40520.00312.0608112.990337.33916.9147
82.49863.8699-3.77778.3575-1.21646.9485-0.2485-0.73810.5759-0.6712-0.17990.6441-0.2724-0.45460.54521.1720.05480.05591.9345-0.12951.964778.710529.7609-18.2507
91.03490.0603-0.33081.3871-0.74492.7841-0.0003-0.09760.02590.1634-0.1285-0.1498-0.2358-0.2990.19611.5711-0.19230.13411.8013-0.17471.936185.872225.3426-22.197
101.2507-0.2530.5435-0.147-0.35311.45940.55470.0066-0.7689-0.0265-0.21170.0171.23940.3616-0.19772.20110.07090.09161.87150.04162.239598.9885-7.1223-6.2914
112.8988-1.262-1.35594.92082.90466.8822-0.1180.4712-0.43250.00160.3051-0.53490.57610.459-0.3531.8471-0.08160.22361.7937-0.21331.800489.3039-1.2717-36.8051
124.13010.78030.56122.8362-0.45554.44940.7326-1.2987-0.09820.66270.43171.87530.1283-2.5182-0.84712.5283-0.07550.26432.995-0.02183.645461.16613.0338-3.2627
131.5502-0.4783-1.25422.29640.54742.72661.19190.16010.2572-2.2763-2.435-0.599-0.1001-0.22221.07594.27120.3138-0.18283.1063-0.18664.204541.88523.8839-16.9853
143.2231-1.68173.31682.66-1.76161.1689-0.5023-0.2398-0.34170.53960.0018-0.3765-1.13491.37740.47193.13290.13930.57192.30660.25082.364296.88575.894-66.8266
154.2284-3.4862-0.2295.05262.44142.42030.90510.4316-4.1094-2.5806-0.18532.86060.3871-3.0157-1.04373.8959-0.5726-0.84844.0370.62275.563475.97458.9234-82.9495
161.1375-0.1191-0.79771.36380.09253.44840.1980.0886-0.0884-0.3522-0.3679-0.4374-1.10180.59740.09772.2201-0.1959-0.05042.1010.04392.604196.820759.958-38.3493
173.4763-1.6167-1.2210.9589-0.08672.7844-0.17640.42832.333-1.1252-0.1386-0.72080.8619-0.06060.01713.15130.1146-0.25392.4215-0.5023.167557.012563.3952-2.2898
18-1.51772.11211.86144.37783.8053.12790.1701-0.6209-0.3202-0.5062-0.59711.973-0.6004-0.85550.26693.0225-0.0691.27452.85220.26274.4627-13.8087-38.0023-29.241
19-1.55563.52442.45067.22252.780.215-0.0466-1.0560.37051.1972-0.1364-1.7920.0052-0.9150.43924.22330.52751.06623.0605-0.33463.62.4026-2.4563-9.0529
200.9439-0.90040.00533.33943.02381.09090.1330.11570.7168-0.4329-0.20420.3771-0.6926-0.50170.06743.71140.02820.06233.0771-0.00413.320811.5656-56.2899-82.8824
212.91091.3241-1.6850.2944-1.97043.355-0.1175-0.01660.0831-0.0332-0.04550.3857-0.26380.23880.05943.3950.04170.19022.7547-0.23252.892844.1552-28.8215-101.7972
22-0.8961.1642-0.02693.5352-1.3753-1.2036-0.2988-0.347-0.065-0.62780.28620.8052-0.1874-0.14480.02292.93610.18450.20862.61170.17482.842630.3877-48.7294-88.6762
237.49450.84610.11066.792-1.65146.7422-0.97111.351.6848-2.51760.6860.5973-0.16051.53350.20543.09470.2538-0.18553.09890.53583.293413.7788-30.3292-78.4696
24-0.3045-0.06770.6662-0.21991.53830.11770.46590.16970.2883-0.5825-0.28120.7830.04120.00740.08653.345-0.02230.21583.30470.29973.9765-2.0327-37.0271-66.7341
25-0.0767-1.42642.94010.7459-2.52821.82540.39150.07460.30340.2408-0.12880.92560.32320.0913-0.21023.0643-0.25710.30473.1602-0.03733.406117.0969-56.6804-36.2737
263.2469-4.42910.48544.84871.14643.43771.13390.9626-0.5911-0.4391-0.37581.04041.4001-0.8808-0.60273.7351-0.25220.26444.23250.59293.64663.7309-69.3049-51.9307
271.6866-2.02070.25022.1838-0.06521.5838-0.00040.3440.407-0.34920.39181.0178-0.427-0.9137-0.31732.7843-0.15680.6673.20990.39083.3719-4.86-39.3382-55.1611
282.5761-2.0289-3.59662.63431.86564.6764-0.6818-0.8705-0.75681.42820.28920.9158-0.23570.29710.00913.6114-0.11890.5412.53720.07672.78846.515-42.2041-35.9672
294.08530.6169-1.3052.5096-0.38723.0683-0.1798-0.4134-0.4308-0.2679-0.2633-0.1181-0.21860.16520.58222.49630.0010.25852.1994-0.29792.144466.9016-54.2002-58.6175
301.65-0.98020.50462.31450.68670.5347-0.4435-0.20760.30130.44270.5650.5794-0.667-0.0533-0.02993.2953-0.11380.77212.42930.05652.858126.4594-13.8264-41.357
314.621-1.4451-2.46024.69441.16312.974-1.0322-0.4975-0.0280.92790.37511.55510.0513-0.53140.94693.9754-0.11360.68352.36630.05863.08742.3286-15.4555-39.2295
322.46951.8858-1.66312.5185-3.88256.4344-0.19960.47810.51310.3875-0.2768-0.048-0.44611.34680.38912.7648-0.43740.39512.4031-0.02372.421160.0773-13.2025-54.5005
337.13620.8752-1.26853.77372.9414.344-2.9655-4.15640.09221.99151.3799-0.1120.65321.13861.32825.61310.32270.55144.541-0.29124.400340.3598-26.2038-14.4109
344.43481.7799-1.10517.1544-1.58767.12651.76931.66461.3546-0.66874.61290.0825-1.0595-1.9727-5.95626.50170.37840.48944.19090.6647.617455.6264-33.0813-3.3782
354.1121-3.65940.44842.9521-0.09410.45580.15210.0748-0.2758-0.4829-0.7886-0.22630.77810.05820.51634.5675-0.04980.94522.8195-0.16743.255183.2802-88.6667-72.6201
361.22561.58361.20291.80110.64510.51311.6257-0.04240.76072.6122-0.6069-1.9759-0.6439-1.163-1.06745.54250.3285-0.29034.0597-0.10845.6236109.9427-74.7632-60.684
371.7580.1539-2.11761.4935-0.90240.5083-0.6992-0.7139-0.5694-0.32470.26320.09670.01080.33510.46262.9612-0.20340.1322.8222-0.18962.69853.0416-76.4944-73.4308
383.17980.7901-2.17312.1204-2.19844.76890.366-0.8149-0.39640.09060.08030.27420.5423-0.9855-0.19984.1058-0.65220.53943.1691-0.26423.695141.016-69.1533-17.7462
39-0.6327-2.316-1.98114.0435-0.255-2.07050.78440.4205-0.46690.096-1.1723-0.0701-0.77410.31980.14545.09420.4876-0.33884.2123-0.50764.2722122.8583-19.1485-16.4992
403.1891.75870.11380.5099-0.35892.09051.2843-3.36330.69093.7019-0.55641.96352.0004-4.632-0.3484.0372-0.52590.56625.77770.52123.580455.2363-4.811659.6011
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 7 through 232 )
2X-RAY DIFFRACTION2chain 'A' and (resid 233 through 325 )
3X-RAY DIFFRACTION3chain 'B' and (resid 6 through 233 )
4X-RAY DIFFRACTION4chain 'C' and (resid 3 through 114 )
5X-RAY DIFFRACTION5chain 'C' and (resid 115 through 437 )
6X-RAY DIFFRACTION6chain 'C' and (resid 438 through 703 )
7X-RAY DIFFRACTION7chain 'C' and (resid 704 through 1252 )
8X-RAY DIFFRACTION8chain 'C' and (resid 1253 through 1342 )
9X-RAY DIFFRACTION9chain 'D' and (resid 8 through 613 )
10X-RAY DIFFRACTION10chain 'D' and (resid 614 through 937 )
11X-RAY DIFFRACTION11chain 'D' and (resid 1134 through 1376 )
12X-RAY DIFFRACTION12chain 'E' and (resid 2 through 60 )
13X-RAY DIFFRACTION13chain 'E' and (resid 61 through 90 )
14X-RAY DIFFRACTION14chain 'F' and (resid 94 through 262 )
15X-RAY DIFFRACTION15chain 'F' and (resid 263 through 333 )
16X-RAY DIFFRACTION16chain 'F' and (resid 334 through 562 )
17X-RAY DIFFRACTION17chain 'F' and (resid 563 through 612 )
18X-RAY DIFFRACTION18chain 'G' and (resid 7 through 233 )
19X-RAY DIFFRACTION19chain 'H' and (resid 6 through 233 )
20X-RAY DIFFRACTION20chain 'I' and (resid 3 through 114 )
21X-RAY DIFFRACTION21chain 'I' and (resid 115 through 370 )
22X-RAY DIFFRACTION22chain 'I' and (resid 371 through 519 )
23X-RAY DIFFRACTION23chain 'I' and (resid 520 through 623 )
24X-RAY DIFFRACTION24chain 'I' and (resid 624 through 804 )
25X-RAY DIFFRACTION25chain 'I' and (resid 805 through 906 )
26X-RAY DIFFRACTION26chain 'I' and (resid 907 through 979 )
27X-RAY DIFFRACTION27chain 'I' and (resid 980 through 1262 )
28X-RAY DIFFRACTION28chain 'I' and (resid 1263 through 1342 )
29X-RAY DIFFRACTION29chain 'J' and (resid 16 through 307 )
30X-RAY DIFFRACTION30chain 'J' and (resid 308 through 899 )
31X-RAY DIFFRACTION31chain 'J' and (resid 900 through 931 )
32X-RAY DIFFRACTION32chain 'J' and (resid 1137 through 1375 )
33X-RAY DIFFRACTION33chain 'K' and (resid 2 through 60 )
34X-RAY DIFFRACTION34chain 'K' and (resid 61 through 80 )
35X-RAY DIFFRACTION35chain 'L' and (resid 94 through 292 )
36X-RAY DIFFRACTION36chain 'L' and (resid 293 through 354 )
37X-RAY DIFFRACTION37chain 'L' and (resid 355 through 511 )
38X-RAY DIFFRACTION38chain 'L' and (resid 512 through 613 )
39X-RAY DIFFRACTION39chain 'M'
40X-RAY DIFFRACTION40chain B and resid 246:325

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