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- PDB-5uah: Escherichia coli RNA polymerase and Rifampin complex, RpoB D516V ... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5uah
TitleEscherichia coli RNA polymerase and Rifampin complex, RpoB D516V mutant
Components
  • (DNA-directed RNA polymerase subunit ...) x 4
  • RNA polymerase sigma factor RpoD
Keywordstransferase/transferase inhibitor / inhibitor / antibiotic / tuberculosis / rifampin / rifamycin / RNA polymerase / RpoB D516V mutant / 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 / cytosolic DNA-directed RNA polymerase complex / regulation of DNA-templated transcription initiation / sigma factor activity / bacterial-type flagellum assembly / bacterial-type flagellum-dependent cell motility / nitrate assimilation ...sigma factor antagonist complex / RNA polymerase complex / submerged biofilm formation / cellular response to cell envelope stress / cytosolic DNA-directed RNA polymerase complex / regulation of DNA-templated transcription initiation / sigma factor activity / bacterial-type flagellum assembly / bacterial-type flagellum-dependent cell motility / nitrate assimilation / transcription elongation factor complex / regulation of DNA-templated transcription elongation / transcription antitermination / DNA-templated transcription initiation / cell motility / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / 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 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 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, alpha subunit / DNA-directed RNA polymerase beta subunit, bacterial-type / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb1, domain 3 superfamily / RNA polymerase Rpb1, clamp domain superfamily / RPB6/omega subunit-like superfamily / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 4 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / RNA polymerase, N-terminal / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase I subunit A N-terminus / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 5 / 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 / DNA-directed RNA polymerase, insert domain superfamily / RNA polymerase, RBP11-like subunit / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb2, domain 2 / 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
RIFAMPICIN / 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: 4.1 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 1.0Jan 11, 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

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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)920,96421
Polymers919,78212
Non-polymers1,1829
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)460,89311
Polymers459,8916
Non-polymers1,0025
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)460,07010
Polymers459,8916
Non-polymers1794
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)187.814, 206.668, 310.286
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: 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: 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: 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 , 3 types, 9 molecules

#6: Chemical ChemComp-RFP / RIFAMPICIN


Mass: 822.940 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C43H58N4O12 / Comment: antibiotic*YM
#7: Chemical
ChemComp-MG / MAGNESIUM ION


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


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

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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: 3.27 Å3/Da / Density % sol: 62.43 %
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: 4.1→30 Å / Num. obs: 96868 / % possible obs: 99.8 % / Redundancy: 7.4 % / Net I/σ(I): 13.9
Reflection shellLowest resolution: 4.17 Å / CC1/2: 0.537

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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: 4.1→29.74 Å / SU ML: 0.61 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 33.73 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2868 1946 2.06 %
Rwork0.2429 --
obs0.2438 94321 99.38 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 4.1→29.74 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms55058 0 67 0 55125
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00855956
X-RAY DIFFRACTIONf_angle_d1.17175492
X-RAY DIFFRACTIONf_dihedral_angle_d16.71434591
X-RAY DIFFRACTIONf_chiral_restr0.068598
X-RAY DIFFRACTIONf_plane_restr0.0069892
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
4.1-4.20230.40231350.35716340X-RAY DIFFRACTION96
4.2023-4.31560.37691370.34476458X-RAY DIFFRACTION99
4.3156-4.44220.35121380.33776543X-RAY DIFFRACTION99
4.4422-4.58510.32641380.31136529X-RAY DIFFRACTION99
4.5851-4.74830.31571350.29586532X-RAY DIFFRACTION100
4.7483-4.93760.31881400.2946586X-RAY DIFFRACTION100
4.9376-5.16120.29421370.29476570X-RAY DIFFRACTION100
5.1612-5.43180.33221390.29196575X-RAY DIFFRACTION100
5.4318-5.76980.37081390.28346609X-RAY DIFFRACTION100
5.7698-6.21150.35561410.29656649X-RAY DIFFRACTION100
6.2115-6.82980.3281390.2776645X-RAY DIFFRACTION100
6.8298-7.80240.29111410.25216689X-RAY DIFFRACTION100
7.8024-9.7720.24791410.19366733X-RAY DIFFRACTION100
9.772-29.7410.22341460.17226917X-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)
12.2761.3924-0.31514.6734-1.80875.08740.0827-0.7634-0.44590.9266-0.4483-0.25590.384-0.09370.34882.36220.03660.03332.46190.0861.853494.494921.344340.8278
28.91523.5298-0.95393.4254-2.20052.82810.2044-1.47060.05990.8409-0.4266-0.1606-0.35510.3370.02392.68720.04670.02672.1159-0.12722.1753106.362642.970138.01
33.63783.9816-1.51112.2484-3.02266.99910.2981-0.50990.3746-0.51390.15891.52220.66640.0693-0.13312.77620.28440.05072.5725-0.16521.873493.07125.062235.4975
43.01731.8824-1.25973.1490.33163.87430.4816-0.81541.0091.1333-0.71660.37170.2166-0.45110.25053.0091-0.03150.36482.5072-0.06471.909284.031319.231841.7048
52.23120.66120.66886.34040.18171.9508-0.7825-0.0524-0.45640.40840.49120.06781.6126-0.50890.24913.2188-0.43950.57172.47640.07582.14474.3003-4.486932.71
63.63980.5569-2.82572.83820.68162.68850.2298-0.7666-0.15820.6081-0.54410.79391.185-0.37830.28173.6002-0.63030.36872.38580.45992.553266.405-19.327439.0721
72.7627-2.1330.8767.55552.35792.17120.3038-0.34540.30370.77470.06741.6361.1989-0.64670.04192.9553-0.48370.27442.56830.221.970375.116210.252632.9576
82.43710.4434-0.89223.4891-0.67092.42850.02370.86180.1264-0.6955-0.1261-0.6804-0.54410.39220.09382.0378-0.1172-0.06052.51780.26292.0738132.732335.2955-18.3915
93.92681.78962.32324.51891.36312.05270.83540.8243-1.3638-2.7020.2127-2.13230.54730.9428-0.65824.11430.24390.53383.5205-0.3243.529152.8953-1.4332-53.608
103.77530.2380.94477.8147-0.09314.51290.03011.2761-0.2297-2.27-0.1451-0.6258-0.3693-0.6856-0.17592.80860.12650.17773.07990.032.1996139.474220.8654-43.5121
112.19791.86340.25814.0136-0.20384.3062-0.00410.46730.0533-0.6150.0636-0.44680.60230.65930.12571.46160.07760.04261.98570.16561.6083128.981823.0135-6.6296
122.1729-0.31990.24051.8360.23821.5159-0.1524-0.19210.5640.51130.1632-0.345-0.180.1137-0.02971.8323-0.0251-0.0262.02740.03741.7028113.155137.369616.8615
133.8152-0.72-4.17767.9051-2.13754.91990.3149-0.19510.4638-0.3895-0.18850.1945-0.002-0.7041-0.21781.62620.01490.01071.45980.00911.505778.35630.0327-18.495
142.5630.3772-1.51376.77410.2876.80310.0710.0918-0.2622-0.6574-0.2142-0.0604-0.155-0.26790.00211.69250.0360.04931.54130.12121.73988.622339.5697-46.4074
151.52130.00350.71440.98620.01091.59050.15270.1668-0.6076-0.1393-0.15070.01470.71620.087-0.02462.2332-0.02770.22381.71280.06241.96289.9807-0.1448-10.7836
162.5274-0.38851.22665.4423-1.4116.2113-0.1494-1.60180.43240.46510.48511.29630.8819-1.5478-0.43342.2008-0.11550.08692.67610.01362.717760.516813.5512-3.1229
172.05541.97191.62217.58960.52831.9409-1.1815-1.0913-0.5868-1.24380.65470.1569-1.6108-0.68110.35173.01070.2292-0.01962.4651-0.14653.018443.618221.6039-14.5557
185.3447-3.3323.07588.77222.31394.6736-0.1736-0.4274-3.0033-1.32541.94140.3213-3.3274-0.5558-1.63623.6210.31530.35873.18090.08662.786634.346538.1066-27.5136
192.4455-3.33232.3349.4324-4.03493.1671-0.2267-0.24580.50630.42050.06150.2092-1.18330.45110.22123.252-0.15440.75822.4011-0.05252.64396.539976.3814-67.3095
201.10860.0807-1.73363.03192.64375.3734-0.30930.7742-0.3067-1.0327-1.32533.1113-1.663-1.73541.57914.42260.254-0.68563.4343-0.19144.735874.626362.1911-83.7288
211.5643-0.1392-2.27440.58760.42452.99720.2873-0.4230.3974-0.1609-0.0317-0.1771-0.87320.3662-0.28432.6292-0.15780.05492.16340.09192.536390.786560.6393-28.183
225.38625.58195.0968.10346.97987.17571.3484-1.668-0.5962-2.29290.9185-2.2171-1.541-1.1713-1.92753.0935-0.15830.51273.9510.50343.7765-23.5789-21.2982-20.4785
236.29460.78481.16021.95352.2115.8410.8528-0.80070.0026-0.28910.88981.6361-2.4291-1.9335-1.41783.31530.44190.76142.94020.84093.6495-14.2228-19.6007-23.2961
241.4959-1.9211-0.34886.98574.67494.5999-0.961-0.886-1.06650.6669-0.69551.39961.3304-0.78891.52383.0917-0.53160.64712.52510.27633.2355-8.64-53.4457-39.8832
250.6723-0.4401-0.0090.4785-0.561.62110.1654-0.79690.66990.6499-0.04950.61371.2676-1.6115-0.16713.1038-0.84430.27713.15820.45063.6047-19.5159-52.869-32.5978
262.56571.38211.72092.76212.08893.03070.6044-0.48350.24240.4351-1.03710.93141.1749-1.45380.36492.939-0.3280.28223.30110.42853.381-17.8481-52.2489-35.6262
270.8289-1.7064-0.88854.70310.86616.44890.5138-0.02460.67983.44010.10980.34350.82760.432-0.5563.1436-0.71220.68163.28330.5973.3491-1.0643-52.9718-29.7405
281.54890.00821.34156.30510.73942.8155-0.23330.6650.48890.1968-0.2279-0.0017-0.7948-0.25890.3233.09740.03350.99533.2070.25074.1567-19.8674-13.6059-24.8291
294.51490.22931.14223.54371.37060.76481.2529-0.11180.55660.1243-0.51071.2880.267-0.6076-1.09923.11610.16141.03153.17890.42583.8349-14.6757-27.24-19.4329
306.2805-0.43960.03725.40.91742.1907-0.349-1.39591.1161-0.02470.9679-2.0020.4161-1.7347-0.23682.5479-0.09280.38552.96560.11872.5363.2491-22.5595-12.8597
311.51930.97880.1531.97180.09831.36980.62660.19750.05650.7601-0.83320.6231-1.0208-0.45440.32413.92990.84110.67313.3172-0.32053.64091.035111.8288-6.5014
325.6283-3.4108-2.8099.37798.30228.48291.5736-0.56210.91831.4754-1.92030.5953-0.1041-3.56470.21392.8680.45590.7592.98270.14253.35987.251-20.997-15.1307
338.6684-0.3246-4.75896.95030.73643.14670.56671.1660.63490.53660.6816-1.37951.5099-3.3198-0.95863.95020.4420.5173.7316-0.13942.374-8.5577-18.3474-7.3865
342.6945-3.7381-1.64377.14972.5043.20260.19070.2357-0.5512-1.4037-0.29510.61020.42980.0002-0.03633.4936-0.1242-0.15752.75660.09763.128811.641-57.435-83.1746
352.78770.4918-1.4161.6784-1.29962.0592-0.33560.08690.0129-0.76480.1324-0.15010.65850.51870.05093.5437-0.091-0.05763.23950.04582.467939.6078-36.9517-96.7947
363.0763-1.0952-0.57485.18472.08413.1184-0.20270.63440.4701-1.11220.3035-0.1459-0.1072-0.277-0.1192.8303-0.1815-0.13172.66140.46292.57069.481-28.315-75.6019
373.08941.96660.06673.19122.44483.69770.0677-0.2708-0.6514-0.685-0.35281.12560.7441-1.90330.39372.867-0.1767-0.24083.37880.5693.2965-7.2711-49.8068-62.5129
381.79330.58610.51511.10610.04450.2266-0.1358-0.4242-0.3494-0.14530.74450.32840.87240.0125-0.59533.0524-0.12720.18572.96230.33462.321717.1286-57.7475-35.8951
393.6616-1.23330.68575.23620.98872.64710.45781.2078-0.804-1.64280.1270.71310.5490.1951-0.06613.6365-0.1308-0.02783.7030.36872.55024.1042-70.6944-51.7721
401.9389-0.63320.93622.5044-0.091-0.22510.25410.5513-0.1298-1.1224-0.06171.22470.5009-0.5773-0.14753.3076-0.08630.02393.63390.61532.9393-9.142-42.1352-58.1682
416.0902-1.5668-2.48821.6950.97861.9345-0.3576-0.0353-0.61790.34750.3490.44120.5823-0.29730.1772.7173-0.09280.31022.17960.11581.93234.5559-39.6207-37.4444
425.3005-2.2149-2.96772.26941.07372.5508-0.0854-0.1549-0.2190.04490.0492-0.081-0.02990.09870.11772.6688-0.15280.07111.7886-0.02171.713656.1202-50.2317-50.227
432.3728-0.3384-0.07351.2529-0.21371.74370.00960.44440.9622-0.23340.23490.0692-0.7612-0.1094-0.28043.019-0.10030.43222.02750.1052.504637.1693-8.9162-47.083
445.1891-2.81393.66672.5771-0.78584.4442-1.3978-0.98420.63141.3363-1.5507-1.2053-0.66513.20142.93343.882-0.0178-0.09714.33960.2352.890236.4844-18.5597-18.1757
458.53-1.70453.40391.9570.82918.9345-1.39-2.0901-0.03565.09720.16510.13541.10551.44351.27434.94680.36540.17213.7452-0.41062.418545.3495-28.0856-17.7072
462.5948-1.4771.15986.2887-0.09366.1719-0.7746-1.58970.17751.89370.4459-0.2843-3.02430.878-0.38674.33290.1020.0864.5228-0.10792.996136.5987-30.195-10.2048
477.3983-4.13094.12066.8205-5.46764.587-0.32090.3851.77461.024-1.3868-2.5832.51380.10371.83565.31480.8993-0.30974.15420.07123.651753.7538-31.2059-4.6473
483.1921-4.11330.40778.1575-0.40361.4895-0.0253-0.3568-0.04970.7639-0.4434-0.45950.4857-0.13020.47833.4735-0.14140.45482.69510.01842.770584.8672-89.636-71.8723
498.3059-5.35251.91734.3413-2.74513.10682.118-1.3148-4.19080.3094-2.683-3.13581.42690.82020.77224.00810.1788-0.85753.77640.37935.5766115.7949-72.0734-61.3826
501.5736-0.0872-2.06331.25420.37614.219-0.2312-0.1462-0.5627-0.2172-0.02940.00020.4521-0.45410.43933.2664-0.26140.10852.19120.04992.741353.6821-75.1321-51.2313
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 200 )
4X-RAY DIFFRACTION4chain 'A' and (resid 201 through 238 )
5X-RAY DIFFRACTION5chain 'B' and (resid 6 through 86 )
6X-RAY DIFFRACTION6chain 'B' and (resid 87 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 703 )
12X-RAY DIFFRACTION12chain 'C' and (resid 704 through 1252 )
13X-RAY DIFFRACTION13chain 'C' and (resid 1253 through 1342 )
14X-RAY DIFFRACTION14chain 'D' and (resid 8 through 331 )
15X-RAY DIFFRACTION15chain 'D' and (resid 332 through 1376 )
16X-RAY DIFFRACTION16chain 'E' and (resid 2 through 60 )
17X-RAY DIFFRACTION17chain 'E' and (resid 61 through 83 )
18X-RAY DIFFRACTION18chain 'E' and (resid 84 through 90 )
19X-RAY DIFFRACTION19chain 'F' and (resid 94 through 262 )
20X-RAY DIFFRACTION20chain 'F' and (resid 263 through 354 )
21X-RAY DIFFRACTION21chain 'F' and (resid 355 through 612 )
22X-RAY DIFFRACTION22chain 'G' and (resid 7 through 22 )
23X-RAY DIFFRACTION23chain 'G' and (resid 23 through 49 )
24X-RAY DIFFRACTION24chain 'G' and (resid 50 through 86 )
25X-RAY DIFFRACTION25chain 'G' and (resid 87 through 111 )
26X-RAY DIFFRACTION26chain 'G' and (resid 112 through 153 )
27X-RAY DIFFRACTION27chain 'G' and (resid 154 through 179 )
28X-RAY DIFFRACTION28chain 'G' and (resid 180 through 197 )
29X-RAY DIFFRACTION29chain 'G' and (resid 198 through 233 )
30X-RAY DIFFRACTION30chain 'H' and (resid 6 through 48 )
31X-RAY DIFFRACTION31chain 'H' and (resid 49 through 179 )
32X-RAY DIFFRACTION32chain 'H' and (resid 180 through 212 )
33X-RAY DIFFRACTION33chain 'H' and (resid 213 through 233 )
34X-RAY DIFFRACTION34chain 'I' and (resid 3 through 114 )
35X-RAY DIFFRACTION35chain 'I' and (resid 115 through 519 )
36X-RAY DIFFRACTION36chain 'I' and (resid 520 through 703 )
37X-RAY DIFFRACTION37chain 'I' and (resid 704 through 804 )
38X-RAY DIFFRACTION38chain 'I' and (resid 805 through 906 )
39X-RAY DIFFRACTION39chain 'I' and (resid 907 through 979 )
40X-RAY DIFFRACTION40chain 'I' and (resid 980 through 1212 )
41X-RAY DIFFRACTION41chain 'I' and (resid 1213 through 1342 )
42X-RAY DIFFRACTION42chain 'J' and (resid 16 through 452 )
43X-RAY DIFFRACTION43chain 'J' and (resid 453 through 1375 )
44X-RAY DIFFRACTION44chain 'K' and (resid 2 through 12 )
45X-RAY DIFFRACTION45chain 'K' and (resid 13 through 31 )
46X-RAY DIFFRACTION46chain 'K' and (resid 32 through 55 )
47X-RAY DIFFRACTION47chain 'K' and (resid 56 through 80 )
48X-RAY DIFFRACTION48chain 'L' and (resid 94 through 292 )
49X-RAY DIFFRACTION49chain 'L' and (resid 293 through 333 )
50X-RAY DIFFRACTION50chain 'L' and (resid 334 through 613 )

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