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- PDB-5uag: Escherichia coli RNA polymerase mutant - RpoB D516V -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5uag
TitleEscherichia coli RNA polymerase mutant - RpoB D516V
Components
  • (DNA-directed RNA polymerase subunit ...) x 4
  • RNA polymerase sigma factor RpoD
Keywordstransferase/transferase inhibitor / inhibitor / antibiotic / tuberculosis / rifampin / rifamycin / RNA polymerase / rifamycin resistant mutation / rpoB-D516V / transferase-transferase inhibitor complex
Function / homology
Function and homology information


sigma factor antagonist complex / 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 ...sigma factor antagonist complex / 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 / cell motility / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / response to heat / protein-containing complex assembly / intracellular iron ion homeostasis / protein dimerization activity / response to antibiotic / negative regulation of DNA-templated transcription / magnesium ion binding / DNA binding / zinc ion binding / membrane / cytoplasm / cytosol
Similarity search - Function
RNA Polymerase Primary Sigma Factor / RNA Polymerase Primary Sigma Factor / 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 / RNA polymerase II, Rpb2 subunit, wall domain / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit ...RNA Polymerase Primary Sigma Factor / RNA Polymerase Primary Sigma Factor / 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 / RNA polymerase II, Rpb2 subunit, wall domain / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / RNA polymerase Rpb1 funnel domain / RNA polymerase, RBP11-like subunit / Sigma-70 factors family signature 1. / Topoisomerase I; Chain A, domain 4 / DNA-directed RNA polymerase, insert domain / RNA polymerase sigma factor RpoD, C-terminal / RNA polymerase sigma factor RpoD / RNA Polymerase Alpha Subunit; Chain A, domain 2 / : / 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 / Gyrase A; domain 2 / 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 / Beta Complex / Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain / 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 Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / 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, N-terminal / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase Rpb2, domain 2 / RNA polymerase I subunit A N-terminus / RNA polymerase, RBP11-like subunit / 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 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Arc Repressor Mutant, subunit A / Winged helix-like DNA-binding domain superfamily / Alpha-Beta Complex / Beta Barrel / 2-Layer Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
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
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.399 Å
AuthorsMolodtsov, V. / Scharf, N.T. / Stefan, M.A. / Garcia, G.A. / Murakami, K.S.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01GM087350 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R01AI110780 United States
CitationJournal: Mol. Microbiol. / Year: 2017
Title: Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis.
Authors: Molodtsov, V. / Scharf, N.T. / Stefan, M.A. / Garcia, G.A. / Murakami, K.S.
History
DepositionDec 19, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 8, 2017Provider: repository / Type: Initial release
Revision 1.1Mar 22, 2017Group: Database references
Revision 1.2Sep 20, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3Dec 11, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Oct 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Revision 1.5Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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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
hetero molecules


Theoretical massNumber of molelcules
Total (without water)916,01020
Polymers915,65112
Non-polymers3598
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
hetero molecules


Theoretical massNumber of molelcules
Total (without water)458,00510
Polymers457,8266
Non-polymers1794
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area38210 Å2
ΔGint-208 kcal/mol
Surface area153750 Å2
MethodPISA
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)458,00510
Polymers457,8266
Non-polymers1794
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area37860 Å2
ΔGint-193 kcal/mol
Surface area152670 Å2
MethodPISA
Unit cell
Length a, b, c (Å)184.826, 205.043, 307.347
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: 35591.648 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: Escherichia coli (E. coli) / 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: 150804.922 Da / Num. of mol.: 2 / Mutation: D516V
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: Escherichia coli (E. coli) / 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: Escherichia coli (E. coli) / 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: 10118.352 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: Escherichia coli (E. coli) / References: UniProt: P0A800, DNA-directed RNA polymerase

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Protein , 1 types, 2 molecules FL

#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: Escherichia coli (E. coli) / References: UniProt: P00579

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Non-polymers , 2 types, 8 molecules

#6: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#7: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn

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Details

Has protein modificationY

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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: 3.18 Å3/Da / Density % sol: 61.32 %
Crystal growTemperature: 300 K / Method: vapor diffusion, hanging drop
Details: 0.1 M HEPES-HCl (pH 6.7), 0.2 M Ca Acetate, 30% PEG400, 10 mM DTT

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.9779 Å
DetectorType: ADSC QUANTUM 270 / Detector: CCD / Date: Jun 11, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9779 Å / Relative weight: 1
ReflectionResolution: 3.4→30 Å / Num. obs: 144355 / % possible obs: 90.5 % / Redundancy: 4.8 % / Net I/σ(I): 9.7

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Processing

Software
NameVersionClassification
PHENIX(1.10.1_2155: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4YG2

4yg2


Resolution: 3.399→29.992 Å / SU ML: 0.7 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 40.32 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.311 1977 1.38 %
Rwork0.2767 --
obs0.2771 142770 89.03 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.399→29.992 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms55058 0 8 0 55066
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01155896
X-RAY DIFFRACTIONf_angle_d1.66375398
X-RAY DIFFRACTIONf_dihedral_angle_d16.69234557
X-RAY DIFFRACTIONf_chiral_restr0.0858589
X-RAY DIFFRACTIONf_plane_restr0.0089889
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3989-3.48380.39261240.41318785X-RAY DIFFRACTION78
3.4838-3.57780.40751360.4089597X-RAY DIFFRACTION86
3.5778-3.68290.43651370.40489678X-RAY DIFFRACTION86
3.6829-3.80160.42311350.40189637X-RAY DIFFRACTION86
3.8016-3.93720.40881360.40159687X-RAY DIFFRACTION86
3.9372-4.09440.37441390.38659721X-RAY DIFFRACTION87
4.0944-4.28030.38721390.36079900X-RAY DIFFRACTION88
4.2803-4.50520.40831400.342310085X-RAY DIFFRACTION90
4.5052-4.78640.34821430.310410366X-RAY DIFFRACTION92
4.7864-5.15430.31691470.30410589X-RAY DIFFRACTION94
5.1543-5.66980.3741510.295810671X-RAY DIFFRACTION94
5.6698-6.48310.30641500.287110713X-RAY DIFFRACTION94
6.4831-8.14080.28111500.238110663X-RAY DIFFRACTION93
8.1408-29.99340.21981500.175410701X-RAY DIFFRACTION91
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)
10.37110.2493-0.23970.891-0.72812.12060.0559-0.63820.18070.4465-0.0329-0.0255-0.45010.3068-0.07781.3973-0.0023-0.04191.8323-0.22381.3084-93.0032-20.344440.7413
21.7412-0.29960.28561.66020.17161.6352-0.2291-0.96120.12960.83280.02090.25560.5397-0.17560.07871.93280.0853-0.04861.67080.11781.3068-104.6368-42.099638.1556
30.09190.071-0.09981.5547-0.22390.0365-0.07220.23720.0864-0.72620.7387-1.72290.96680.4725-0.33792.09250.2147-0.09762.06360.04941.7908-88.429-41.42125.152
41.33470.37390.62041.4944-0.56131.5213-0.2173-0.66930.25441.03620.133-0.1396-0.2390.48780.1532.1360.093-0.19081.9398-0.17191.3857-87.5194-15.970641.87
52.7426-0.30150.10062.68780.33561.6505-0.1065-0.6127-0.42890.2771-0.1249-0.3294-1.42830.8970.24681.6818-0.3632-0.06931.928-0.25591.457-73.8774-12.096530.2059
60.37730.4920.05641.0875-0.34070.0798-0.29120.3865-0.1180.44040.2835-0.5659-0.83290.1479-0.16972.9533-0.5465-0.32212.2966-0.60492.2987-67.845621.765637.5412
71.1766-1.0249-0.19431.4832-0.34970.81940.2109-0.0968-0.49090.31310.1873-1.73240.22580.02820.21261.9343-0.3576-0.34151.9431-0.3971.8057-73.8883-9.559932.8824
81.52180.72510.85181.56480.86972.1050.01210.3985-0.021-0.2627-0.02280.39390.34-0.4910.13881.2076-0.08740.07911.5288-0.19821.351-130.3313-35.4356-18.2961
92.0115-0.0028-0.30151.4178-0.68660.320.60930.56180.4991-0.9426-0.0161.05920.4542-0.7194-0.46233.2399-0.0991-0.43862.34330.02872.0674-150.60710.6575-54.1761
100.72140.11320.65482.9067-0.28752.09590.37280.23560.0673-1.7018-0.18070.77030.14580.3764-0.24512.10890.0555-0.16422.0074-0.09321.6156-136.9863-21.4876-43.6573
111.58160.7926-0.05881.8237-0.02072.361-0.03290.0939-0.1374-0.05680.06150.2712-0.1319-0.3908-0.00030.8330.01520.10291.2131-0.16971.0693-125.7854-26.84410.1755
122.344-0.08740.06590.0967-0.5580.8964-0.0364-0.0533-0.8232-0.0356-0.02440.10110.40550.25420.14971.1708-0.0136-0.06821.3199-0.03621.2734-87.9171-46.52547.0291
131.3222-0.6337-0.52971.8633-0.76761.2764-0.1213-0.0744-0.88550.41280.21640.78460.0973-0.3552-0.3271.7453-0.10980.04521.6277-0.02211.9045-125.2398-60.008617.7998
142.0387-0.7614-0.72721.83490.83071.9153-0.0423-0.6032-0.00850.50760.17130.04-0.1766-0.0065-0.12361.07980.04870.00451.2745-0.10211.0514-111.4099-16.829123.0507
150.7451-0.34070.93791.36760.27221.17290.1383-0.0808-0.1376-0.1126-0.0545-0.20150.48820.1971-0.03031.025-0.0403-0.01961.1359-0.11811.022-79.0887-30.151-15.1125
162.30370.3570.97414.8588-0.06374.1369-0.02030.10560.1163-0.3971-0.08310.04860.1360.29340.05511.02060.0556-0.0821.0156-0.0991.1088-87.3197-39.466-45.8891
171.0655-0.0624-0.35360.5664-0.06071.08390.15280.060.471-0.0464-0.0984-0.0778-0.47860.0188-0.04461.2082-0.0256-0.09431.079-0.10311.261-88.56720.274-10.7694
181.6111-0.2664-0.56172.0678-0.09282.03210.6112-0.24560.38591.16-0.3927-0.3511-0.32560.0474-0.23241.1512-0.1254-0.21631.4713-0.14892.1405-62.0754-11.4747-6.5545
191.47070.46990.92763.24780.0151.28010.2004-1.2942-0.11810.15470.0513-1.3685-0.64270.3216-0.23791.696-0.063-0.22181.829-0.04981.7973-56.3975-15.52030.8061
202.2359-1.0238-0.36991.79440.24581.18790.05760.05180.1027-0.1520.36880.32720.45920.6293-0.35261.66040.0305-0.14352.1158-0.07632.2413-41.0379-24.5067-17.1439
210.52520.2485-1.04392.74680.91090.6871-0.1304-0.0032-0.50130.713-0.2905-0.16740.7996-0.17210.29842.3385-0.0209-0.49421.6969-0.02211.8902-95.2048-75.8763-66.5883
220.82610.66520.26491.3814-0.46360.38830.03830.80730.0278-1.0331-0.7337-1.80260.31391.07550.4093.20350.27070.38312.9740.13073.5309-73.5321-61.6109-83.0997
231.6645-0.29721.56440.6121-0.25162.5260.1667-0.3483-0.2938-0.0430.00220.13580.5963-0.3216-0.04881.5994-0.1089-0.06261.2979-0.05281.5739-89.4225-60.1531-27.5404
240.05950.17830.23930.5831-0.49750.5031-0.0234-0.15810.2523-0.07610.1374-0.41560.20020.7777-0.11171.81770.1022-0.68522.0212-0.43992.796314.065234.3452-29.5302
250.9355-0.127-0.50570.53030.63761.28660.326-0.57160.37570.353-0.5758-1.04270.02611.3538-0.00481.8332-0.1633-0.48382.3752-0.3382.963420.012952.089-34.4054
26-0.0333-0.79760.12872.4294-1.58581.29990.2963-0.2706-0.29590.7492-0.61710.0515-0.11630.09330.50411.9952-0.0209-0.88232.166-0.56213.329911.515633.1526-26.7763
272.4713-0.5876-0.43382.35380.44071.93550.6532-1.10640.082-0.3632-0.2106-0.5294-0.18250.0448-0.60672.25340.2932-0.81391.8225-0.39612.452211.491827.5621-12.6179
281.17270.7465-1.08891.3172-0.46681.2510.1622-1.0048-0.463-0.33540.13570.87380.38960.569-0.38192.51070.2262-1.02832.05890.10012.6176-2.18094.5147-11.9163
290.58230.1018-0.36141.0609-0.25320.38190.78540.7653-0.40421.188-0.5383-0.1186-0.25270.6991-0.13743.04610.6469-0.74042.64750.24722.7244-0.5317-11.0283-3.2493
300.24810.047-0.24590.678-0.29480.64461.23160.1745-0.43250.069-0.61530.94630.13441.5946-0.37742.30380.3617-0.93612.4344-0.19742.5412-0.716119.2613-11.6743
310.8393-0.44450.05241.77370.28510.8984-0.12910.50260.4372-1.0962-0.2902-0.8285-0.39890.1460.17022.6669-0.14840.05741.8599-0.06762.2269-10.888156.545-82.0988
321.41970.26081.36760.46750.72322.6429-0.14620.21-0.0068-0.34320.235-0.1593-0.4144-0.1319-0.08862.2248-0.00330.08551.7779-0.06741.8088-29.695633.6056-89.3411
331.2219-0.02420.53561.4256-0.62541.1121-0.0820.19580.2296-0.2230.1739-0.9355-0.50120.2541-0.08381.905-0.0894-0.08021.6827-0.42.0517-3.930657.3699-48.8826
340.70720.0169-0.14330.5566-0.05650.15850.06470.41250.0376-0.5920.0061-0.9262-0.00220.47330.03732.03680.144-0.0512.1597-0.55052.38998.239247.3442-56.8315
351.34050.38471.10350.1498-0.26450.4778-0.28980.1927-0.12090.14120.3603-0.54950.07510.3295-0.08941.73790.047-0.32781.4703-0.24211.7888-18.376534.1457-43.6365
363.0386-1.32242.01951.8818-0.39992.0315-0.1192-0.30650.18950.07260.0640.1193-0.0713-0.25130.03561.5382-0.1054-0.12771.20490.02021.0841-58.578851.8299-52.4014
371.6318-0.1921-0.0711.15770.05041.0904-0.00060.1278-0.67490.05340.2344-0.16330.55660.0105-0.18491.91250.0422-0.47741.2607-0.12511.6294-35.409910.0769-45.2407
380.6697-0.5430.52020.4466-0.46910.43620.0781-1.3474-0.53571.03-0.09240.1304-0.3197-0.82140.25512.8870.09320.2963.10020.07372.4072-38.470118.715-19.3204
390.11570.26770.18320.92540.4990.3224-0.3282-0.71710.38240.8864-0.5585-0.5253-0.29040.09760.44083.2833-0.242-0.38452.6178-0.09782.7786-43.980730.8626-15.0327
400.21280.0409-0.36151.0493-0.35460.8218-0.2308-1.1734-0.81471.16550.18461.1908-0.4233-0.2142-0.17823.78870.3766-0.51063.25130.31822.693-36.684728.502-9.3843
410.30760.10550.0320.1905-0.10720.10620.6308-0.43010.27710.30390.72210.0879-0.4273-0.393-1.15284.60270.18470.17583.0359-0.04423.2151-54.988133.1838-3.341
421.4338-2.0926-0.49622.07040.64660.41030.1113-0.2033-0.12020.1483-0.31850.2851-0.3714-0.23110.17642.5646-0.0131-0.47381.7493-0.04212.0867-83.371888.7967-71.3269
431.40310.7313-0.90861.09150.03760.99290.3939-0.24851.49220.119-1.47880.999-0.2536-0.80090.71213.2403-0.21290.83993.5046-0.27324.5691-114.218571.2458-61.0138
441.2280.08061.30670.88840.0483.2106-0.08670.13070.3847-0.25480.0350.1024-0.4780.27190.19522.1192-0.0571-0.20671.2292-0.03791.6451-54.836973.9956-60.3098
451.30491.07521.06692.68260.19292.4087-0.4223-0.00840.48951.21170.47310.171-1.06940.49050.07982.39060.0308-0.29362.2396-0.30972.0927-40.971975.8793-8.826
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 6 through 71 )
2X-RAY DIFFRACTION2chain 'A' and (resid 72 through 149 )
3X-RAY DIFFRACTION3chain 'A' and (resid 150 through 169 )
4X-RAY DIFFRACTION4chain 'A' and (resid 170 through 238 )
5X-RAY DIFFRACTION5chain 'B' and (resid 6 through 48 )
6X-RAY DIFFRACTION6chain 'B' and (resid 49 through 179 )
7X-RAY DIFFRACTION7chain 'B' and (resid 180 through 233 )
8X-RAY DIFFRACTION8chain 'C' and (resid 3 through 224 )
9X-RAY DIFFRACTION9chain 'C' and (resid 225 through 313 )
10X-RAY DIFFRACTION10chain 'C' and (resid 314 through 437 )
11X-RAY DIFFRACTION11chain 'C' and (resid 438 through 804 )
12X-RAY DIFFRACTION12chain 'C' and (resid 805 through 915 )
13X-RAY DIFFRACTION13chain 'C' and (resid 916 through 1037 )
14X-RAY DIFFRACTION14chain 'C' and (resid 1038 through 1234 )
15X-RAY DIFFRACTION15chain 'C' and (resid 1235 through 1342 )
16X-RAY DIFFRACTION16chain 'D' and (resid 8 through 331 )
17X-RAY DIFFRACTION17chain 'D' and (resid 332 through 1376 )
18X-RAY DIFFRACTION18chain 'E' and (resid 2 through 31 )
19X-RAY DIFFRACTION19chain 'E' and (resid 32 through 60 )
20X-RAY DIFFRACTION20chain 'E' and (resid 61 through 90 )
21X-RAY DIFFRACTION21chain 'F' and (resid 94 through 262 )
22X-RAY DIFFRACTION22chain 'F' and (resid 263 through 354 )
23X-RAY DIFFRACTION23chain 'F' and (resid 355 through 612 )
24X-RAY DIFFRACTION24chain 'G' and (resid 7 through 86 )
25X-RAY DIFFRACTION25chain 'G' and (resid 87 through 149 )
26X-RAY DIFFRACTION26chain 'G' and (resid 150 through 212 )
27X-RAY DIFFRACTION27chain 'G' and (resid 213 through 233 )
28X-RAY DIFFRACTION28chain 'H' and (resid 6 through 86 )
29X-RAY DIFFRACTION29chain 'H' and (resid 87 through 179 )
30X-RAY DIFFRACTION30chain 'H' and (resid 180 through 233 )
31X-RAY DIFFRACTION31chain 'I' and (resid 3 through 114 )
32X-RAY DIFFRACTION32chain 'I' and (resid 115 through 703 )
33X-RAY DIFFRACTION33chain 'I' and (resid 704 through 979 )
34X-RAY DIFFRACTION34chain 'I' and (resid 980 through 1150 )
35X-RAY DIFFRACTION35chain 'I' and (resid 1151 through 1342 )
36X-RAY DIFFRACTION36chain 'J' and (resid 16 through 403 )
37X-RAY DIFFRACTION37chain 'J' and (resid 404 through 1375 )
38X-RAY DIFFRACTION38chain 'K' and (resid 2 through 17 )
39X-RAY DIFFRACTION39chain 'K' and (resid 18 through 31 )
40X-RAY DIFFRACTION40chain 'K' and (resid 32 through 60 )
41X-RAY DIFFRACTION41chain 'K' and (resid 61 through 80 )
42X-RAY DIFFRACTION42chain 'L' and (resid 94 through 292 )
43X-RAY DIFFRACTION43chain 'L' and (resid 293 through 333 )
44X-RAY DIFFRACTION44chain 'L' and (resid 334 through 562 )
45X-RAY DIFFRACTION45chain 'L' and (resid 563 through 613 )

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