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- PDB-5w1s: X-ray crystal structure of Escherichia coli RNA polymerase and Tr... -

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Basic information

Entry
Database: PDB / ID: 5w1s
TitleX-ray crystal structure of Escherichia coli RNA polymerase and TraR complex
Components
  • (DNA-directed RNA polymerase subunit ...Polymerase) x 4
  • Protein TraR
  • RNA polymerase sigma factor RpoD
KeywordsTRANSFERASE / RNA polymerase / TraR
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 / bacterial-type flagellum assembly / sigma factor activity / 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 / bacterial-type flagellum assembly / sigma factor activity / bacterial-type flagellum-dependent cell motility / nitrate assimilation / transcription elongation factor complex / regulation of DNA-templated transcription elongation / transcription antitermination / cell motility / DNA-templated transcription initiation / 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 / cytosol / cytoplasm
Similarity search - Function
Zinc finger, C4 DksA/TraR-type / RNA Polymerase Primary Sigma Factor / RNA Polymerase Primary Sigma Factor / 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 ...Zinc finger, C4 DksA/TraR-type / RNA Polymerase Primary Sigma Factor / RNA Polymerase Primary Sigma Factor / 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 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, insert domain / RNA polymerase, RBP11-like subunit / Sigma-70 factors family signature 1. / RNA Polymerase Alpha Subunit; Chain A, domain 2 / 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 / 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, alpha subunit / DNA-directed RNA polymerase beta subunit, bacterial-type / Beta Complex / 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 Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb2, domain 2 superfamily / 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, 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 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / 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 / Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain / 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 / Arc Repressor Mutant, subunit A / Winged helix-like DNA-binding domain superfamily / Alpha-Beta Complex / 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 / Protein TraR
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.805 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
DepositionJun 4, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 14, 2017Provider: repository / Type: Initial release
Revision 1.1Sep 20, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Feb 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 1.3Mar 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 1.4Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Oct 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
M: Protein TraR
N: Protein TraR
hetero molecules


Theoretical massNumber of molelcules
Total (without water)938,56122
Polymers938,12014
Non-polymers4418
Water0
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: Protein TraR
hetero molecules


Theoretical massNumber of molelcules
Total (without water)469,28111
Polymers469,0607
Non-polymers2214
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area42780 Å2
ΔGint-204 kcal/mol
Surface area162230 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
N: Protein TraR
hetero molecules


Theoretical massNumber of molelcules
Total (without water)469,28111
Polymers469,0607
Non-polymers2214
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area41140 Å2
ΔGint-196 kcal/mol
Surface area154820 Å2
MethodPISA
Unit cell
Length a, b, c (Å)186.484, 206.039, 310.300
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 / Polymerase / 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 / Polymerase / 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: Escherichia coli (E. coli) / References: UniProt: P0A8V2, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase subunit beta' / Polymerase / 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 / Polymerase / 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 , 2 types, 4 molecules FLMN

#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
#6: Protein Protein TraR


Mass: 9153.373 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: traR, ECOK12F083 / Production host: Escherichia coli (E. coli) / References: UniProt: P41065

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Non-polymers , 2 types, 8 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.: 6 / 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: 3.18 Å3/Da / Density % sol: 61.29 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / Details: 0.1M HEPES-HCL (PH7), 0.2M Ca-ACETATE, 15% PEG400

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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: Apr 14, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 3.8→50 Å / Num. obs: 117447 / % possible obs: 100 % / Redundancy: 7.8 % / Rpim(I) all: 0.043 / Net I/σ(I): 17.5
Reflection shellResolution: 3.8→3.87 Å / Redundancy: 7.4 % / Num. unique obs: 5789 / CC1/2: 0.27 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4YG2

4yg2


Resolution: 3.805→49.836 Å / SU ML: 0.61 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 30.49
RfactorNum. reflection% reflection
Rfree0.2624 3844 1.7 %
Rwork0.2077 --
obs0.2086 225641 99.62 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.805→49.836 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms56817 0 8 0 56825
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00557685
X-RAY DIFFRACTIONf_angle_d1.06877823
X-RAY DIFFRACTIONf_dihedral_angle_d17.74635675
X-RAY DIFFRACTIONf_chiral_restr0.0528859
X-RAY DIFFRACTIONf_plane_restr0.00610210
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.8051-3.85320.37961350.37177749X-RAY DIFFRACTION95
3.8532-3.90390.40421430.37388224X-RAY DIFFRACTION99
3.9039-3.95740.38631380.35788106X-RAY DIFFRACTION98
3.9574-4.01390.3931440.34558177X-RAY DIFFRACTION100
4.0139-4.07380.38531430.32218267X-RAY DIFFRACTION100
4.0738-4.13740.31171430.30438312X-RAY DIFFRACTION100
4.1374-4.20520.32041400.28448224X-RAY DIFFRACTION100
4.2052-4.27770.29711420.27528248X-RAY DIFFRACTION100
4.2777-4.35540.33241440.26548214X-RAY DIFFRACTION100
4.3554-4.43910.32061460.25748269X-RAY DIFFRACTION100
4.4391-4.52970.21861460.23668253X-RAY DIFFRACTION100
4.5297-4.62810.29411430.23378223X-RAY DIFFRACTION100
4.6281-4.73570.27321420.23018240X-RAY DIFFRACTION100
4.7357-4.8540.31091430.22178228X-RAY DIFFRACTION100
4.854-4.98520.29681440.22148226X-RAY DIFFRACTION100
4.9852-5.13170.26581420.22098256X-RAY DIFFRACTION100
5.1317-5.29720.22871440.21548236X-RAY DIFFRACTION100
5.2972-5.48630.26811460.21958302X-RAY DIFFRACTION100
5.4863-5.70560.25111470.22078205X-RAY DIFFRACTION100
5.7056-5.96490.30591440.23088226X-RAY DIFFRACTION100
5.9649-6.27880.28641430.22658278X-RAY DIFFRACTION100
6.2788-6.67130.33851440.21868246X-RAY DIFFRACTION100
6.6713-7.18510.24621410.20558255X-RAY DIFFRACTION100
7.1851-7.90550.26141410.18178255X-RAY DIFFRACTION100
7.9055-9.04360.1941420.15488224X-RAY DIFFRACTION100
9.0436-11.37160.19711410.15078211X-RAY DIFFRACTION100
11.3716-49.840.24931330.17518143X-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)
12.6943.6854-1.11126.5325-1.09221.52410.1109-0.834-0.01260.7427-0.5258-0.16070.3801-0.09050.31982.14570.0917-0.00651.9892-0.22651.314296.78529.51738.7272
24.2068-2.7522-1.06743.7834-2.30154.26310.1208-0.7719-0.167-0.42950.493-0.3557-0.9131-0.5226-0.68051.99750.0874-0.09472.7829-0.49632.09766.862357.087722.8582
31.06262.49550.09147.20450.4372-0.3667-0.42840.1205-0.25950.34740.45750.10750.9659-0.6116-0.01572.4224-0.56690.48762.16940.23811.51171.4458-5.948835.3246
4-0.22461.1202-1.0452.7591-4.30795.80350.5055-0.3018-0.23250.176-0.7401-0.4312-0.84081.63740.2161.872-0.3638-0.07121.56680.11871.7196134.49342.9878-8.1041
51.8067-1.0764-1.08293.72881.81460.87520.26731.1991-0.4628-1.62180.1643-1.095-0.37350.2392-0.57582.7593-0.11780.07683.3088-0.3392.343139.056916.6964-41.2724
60.78181.96831.53263.0425-0.65584.1149-0.11950.5716-0.2848-0.5386-0.0343-0.32730.50220.56370.11640.91780.0167-0.05351.480.12741.38128.449822.7375-6.4664
71.858-0.08350.58650.48490.58991.0096-0.0574-0.16190.4470.44910.1006-0.0666-0.0313-0.045-0.01581.0038-0.0571-0.03851.5115-0.03261.2175112.545837.287616.75
81.42671.9294-3.63175.5255-2.30818.18870.2404-0.44680.60.0112-0.26230.5023-0.3669-0.61520.00790.5410.0650.09771.1307-0.07031.35977.862129.8849-18.4302
90.5923-0.0776-0.19411.2089-0.28762.4478-0.0685-0.04380.0285-0.1212-0.0861-0.1138-0.0532-0.39850.18920.8466-0.07040.19511.1651-0.05991.376484.82925.5149-22.3984
101.504-0.10341.4660.7953-0.60881.7810.3409-0.0768-0.91880.1789-0.0783-0.07480.97580.2599-0.15181.73420.15130.23561.39910.0421.697398.1432-7.1581-5.9435
113.9653-2.2665-2.1915.17842.82445.9655-0.14790.4165-0.5024-0.326-0.1446-0.60870.80830.34440.13811.2447-0.11780.26891.1633-0.08811.325688.5133-1.2734-36.6833
126.1651.04412.7263.6318-2.39234.0208-0.1722-1.1633-0.6330.05461.25051.54460.2493-1.5769-0.73171.7806-0.15910.20452.0691-0.02992.585360.337813.5315-2.9681
132.9222-3.56751.6246.53592.41268.8154-0.0514-0.3186-2.14050.26120.3248-1.4316-1.15330.424-0.57731.5682-0.1117-0.21241.8167-0.06332.667741.835224.5731-16.8348
142.2971-4.58873.50348.1705-6.11263.86690.41940.11360.2788-0.3973-0.5643-0.125-0.49260.58820.19162.6023-0.25570.66631.4344-0.01582.004495.832276.1315-67.2336
158.37855.19015.55936.08363.84283.56832.089-1.0708-2.6281-1.0623-0.36110.5951-1.6771-1.8556-1.94233.1624-0.2-0.49072.10080.25843.222274.832559.8419-84.1432
160.7780.1024-1.11220.60090.00612.8990.0734-0.2159-0.1627-0.4283-0.1577-0.2417-0.87970.36040.17511.7672-0.13410.1111.4754-0.03182.062995.897360.1402-38.9823
174.4682-5.68153.38716.3614-3.00947.43741.04120.45550.3992-1.7792-0.6271-1.08850.1912-0.398-0.471.78850.01390.03911.5715-0.35211.691556.843164.427-1.9511
18-1.00392.75640.49124.03645.2542.72250.4668-0.15450.327-1.1857-0.43671.74540.0921-1.37160.07651.5079-0.090.582.59320.63362.9874-14.129-39.1602-29.1991
19-0.12332.95581.01647.87761.46180.84570.1859-0.88790.84430.4119-0.3868-2.0154-0.8343-1.21670.45952.58570.91150.59122.6951-0.12972.71631.7773-3.3562-9.397
203.9452-4.9601-3.89026.88667.09575.4464-0.11650.2676-0.0406-1.4969-0.14161.6998-0.4953-0.18770.35932.5528-0.25-0.30141.70220.18251.883111.509-57.2577-83.0354
212.42192.5966-1.45852.3704-3.92892.4095-0.6609-0.5862-0.3888-0.4921-0.4458-0.19440.71410.68031.07872.64470.10050.33732.51440.24941.840844.234-29.4732-101.4897
221.13422.0856-2.29132.4209-3.5643.69720.49040.06240.3144-0.19380.00080.7691-0.35330.1676-0.44232.33820.0797-0.12292.52380.19022.168430.3911-49.5941-88.7469
235.554-0.18322.03126.54380.90597.839-0.47791.40871.3694-1.97240.6230.5662-1.06240.8019-0.07242.45950.00530.08822.43070.92822.061913.2012-31.3731-78.5344
242.0608-0.16921.6312.4662.64311.79840.5968-0.274-0.5874-0.5413-0.4530.34140.2133-1.215-0.11842.2594-0.274-0.13583.18390.79372.5224-2.4451-38.2799-66.8221
250.7103-0.43230.60741.8052-0.71190.4778-0.27550.0568-0.4748-0.00420.46921.18830.13580.1084-0.262.2498-0.14860.07642.39120.39062.249217.2376-57.515-36.1528
265.8318-1.4932.91654.7457-0.13464.9640.00571.3783-1.742-1.29970.51361.0309-0.19060.1528-0.05112.4826-0.2518-0.05222.94820.45922.39253.8717-70.1862-51.7518
271.394-0.73880.72961.8479-0.17370.09620.00790.29920.1627-0.86550.48480.78920.0227-0.3737-0.42881.8989-0.148-0.00662.74550.81022.2718-5.1514-40.5402-55.0736
288.5319-2.1925-7.06746.21952.20975.9388-0.1314-0.1931-0.44530.95740.00440.34060.3804-0.33520.10871.82680.05930.23461.37330.09841.425746.5554-42.5682-35.6126
294.22351.2454-1.02283.5637-0.44854.3799-0.1201-0.1075-0.675-0.5468-0.0756-0.41310.26320.02580.26471.63950.10970.31841.0386-0.05491.253567.467-54.5437-57.7852
302.407-0.90080.18411.95580.65681.1383-0.2723-0.0670.67510.03640.4510.3935-0.337-0.1824-0.17521.7686-0.03610.44151.50220.22291.760725.6859-14.5584-41.6152
313.456-2.2770.96787.3056-3.96385.6628-0.05470.71430.00611.34440.50812.3461-0.02740.33110.07681.488-0.08620.56791.26260.06692.091841.7135-15.9027-39.4225
322.41091.6298-1.05435.9643-4.39437.4848-0.21250.51980.2456-0.54420.1364-0.0656-0.40110.90010.13331.693-0.26130.31711.2199-0.18691.36559.408-13.4221-54.5088
332.7165-4.4652-3.60927.17865.98719.8039-2.1618-2.05830.26732.9963-0.09750.445-0.9661.39351.28053.5237-0.292-0.18692.9231-0.46412.898639.7908-26.5049-14.2054
344.7663-1.8963-3.79174.94763.93124.4135-1.06380.07290.7971-0.05723.44923.44560.9604-1.9073-2.54944.94520.4787-0.1365.12781.49343.58254.0448-29.1536-6.1042
354.8486-5.68031.49247.4945-1.35550.2126-0.2532-0.19210.0301-0.10430.165-0.25910.2423-0.18790.06043.0140.01930.74961.70520.04572.025584.2366-89.3737-72.0777
361.51191.19751.83581.07421.2791.88050.89330.85350.8890.8164-1.05040.04981.04560.3627-0.80213.70340.0773-1.01381.97730.23814.3388111.7046-75.902-60.2333
372.8317-0.9068-1.50871.231-1.0281.9393-0.74340.0071-1.1589-0.49680.16280.0180.5983-0.21850.48652.8251-0.34070.27411.5772-0.14462.072654.0159-77.1753-72.4161
381.9217-1.0274-0.70918.7447-6.35084.71580.2889-0.3288-0.20270.2495-0.7713-0.2290.2711.12550.26131.9133-0.15360.22191.76190.12021.965141.1034-69.2518-17.19
392.5632-1.2243-3.4891.52422.3666.32261.46841.3637-1.5704-2.7434-1.83721.1183-3.1305-0.33450.27073.73170.2972-0.27322.3351-0.10472.3343123.569-16.4735-17.4703
408.6862-0.9525-3.66480.4134-1.88097.4798-1.33262.953-0.06320.6086-1.9364-1.73780.2481-2.2113.52443.1665-0.32750.38953.67670.62334.761328.09681.1038-79.978
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 7:232 )A7 - 232
2X-RAY DIFFRACTION2( CHAIN A AND RESID 233:325 )A233 - 325
3X-RAY DIFFRACTION3( CHAIN B AND RESID 6:233 )B6 - 233
4X-RAY DIFFRACTION4( CHAIN C AND RESID 3:114 )C3 - 114
5X-RAY DIFFRACTION5( CHAIN C AND RESID 115:437 )C115 - 437
6X-RAY DIFFRACTION6( CHAIN C AND RESID 438:703 )C438 - 703
7X-RAY DIFFRACTION7( CHAIN C AND RESID 704:1252 )C704 - 1252
8X-RAY DIFFRACTION8( CHAIN C AND RESID 1253:1342 )C1253 - 1342
9X-RAY DIFFRACTION9( CHAIN D AND RESID 8:613 )D8 - 613
10X-RAY DIFFRACTION10( CHAIN D AND RESID 614:936 )D614 - 936
11X-RAY DIFFRACTION11( CHAIN D AND RESID 1133:1376 )D1133 - 1376
12X-RAY DIFFRACTION12( CHAIN E AND RESID 2:60 )E2 - 60
13X-RAY DIFFRACTION13( CHAIN E AND RESID 61:90 )E61 - 90
14X-RAY DIFFRACTION14( CHAIN F AND RESID 94:262 )F94 - 262
15X-RAY DIFFRACTION15( CHAIN F AND RESID 263:333 )F263 - 333
16X-RAY DIFFRACTION16( CHAIN F AND RESID 334:562 )F334 - 562
17X-RAY DIFFRACTION17( CHAIN F AND RESID 563:612 )F563 - 612
18X-RAY DIFFRACTION18( CHAIN G AND RESID 7:233 )G7 - 233
19X-RAY DIFFRACTION19( CHAIN H AND RESID 6:233 )H6 - 233
20X-RAY DIFFRACTION20( CHAIN I AND RESID 3:114 )I3 - 114
21X-RAY DIFFRACTION21( CHAIN I AND RESID 115:370 )I115 - 370
22X-RAY DIFFRACTION22( CHAIN I AND RESID 371:519 )I371 - 519
23X-RAY DIFFRACTION23( CHAIN I AND RESID 520:623 )I520 - 623
24X-RAY DIFFRACTION24( CHAIN I AND RESID 624:804 )I624 - 804
25X-RAY DIFFRACTION25( CHAIN I AND RESID 805:906 )I805 - 906
26X-RAY DIFFRACTION26( CHAIN I AND RESID 907:979 )I907 - 979
27X-RAY DIFFRACTION27( CHAIN I AND RESID 980:1262 )I980 - 1262
28X-RAY DIFFRACTION28( CHAIN I AND RESID 1263:1342 )I1263 - 1342
29X-RAY DIFFRACTION29( CHAIN J AND RESID 16:307 )J16 - 307
30X-RAY DIFFRACTION30( CHAIN J AND RESID 308:899 )J308 - 899
31X-RAY DIFFRACTION31( CHAIN J AND RESID 900:931 )J900 - 931
32X-RAY DIFFRACTION32( CHAIN J AND RESID 1137:1375 )J1137 - 1375
33X-RAY DIFFRACTION33( CHAIN K AND RESID 2:60 )K2 - 60
34X-RAY DIFFRACTION34( CHAIN K AND RESID 61:73 )K61 - 73
35X-RAY DIFFRACTION35( CHAIN L AND RESID 94:292 )L94 - 292
36X-RAY DIFFRACTION36( CHAIN L AND RESID 293:354 )L293 - 354
37X-RAY DIFFRACTION37( CHAIN L AND RESID 355:511 )L355 - 511
38X-RAY DIFFRACTION38( CHAIN L AND RESID 512:613 )L512 - 613
39X-RAY DIFFRACTION39( CHAIN M AND ( RESID 4:73 OR RESID 101:101 ) )M4 - 73
40X-RAY DIFFRACTION39( CHAIN M AND ( RESID 4:73 OR RESID 101:101 ) )M101
41X-RAY DIFFRACTION40( CHAIN N AND ( RESID 4:72 OR RESID 101:101 ) )N4 - 72
42X-RAY DIFFRACTION40( CHAIN N AND ( RESID 4:72 OR RESID 101:101 ) )N101

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