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- PDB-6cuu: Thermus thermophiles RNA polymerase in complex with promoter DNA ... -

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Basic information

Entry
Database: PDB / ID: 6cuu
TitleThermus thermophiles RNA polymerase in complex with promoter DNA and antibiotic Kanglemycin A
Components
  • (DNA-directed RNA polymerase subunit ...) x 4
  • DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*CP*TP*CP*TP*GP*AP*TP*GP*CP*A)-3')
  • DNA (5'-D(P*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3')
  • RNA polymerase sigma factor SigA
Keywordstranscription/dna/antibiotic / RNA polymerase / Kanglemycin A / transcription inhibitor / TRANSCRIPTION / transcription-dna-antibiotic complex
Function / homology
Function and homology information


sigma factor activity / DNA-directed RNA polymerase complex / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / protein dimerization activity / DNA-templated transcription / magnesium ion binding / DNA binding ...sigma factor activity / DNA-directed RNA polymerase complex / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / protein dimerization activity / DNA-templated transcription / magnesium ion binding / DNA binding / zinc ion binding / cytoplasm
Similarity search - Function
: / DNA-directed RNA polymerase subunit beta', hybrid domain / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; domain 3 / RNA polymerase Rpb2, domain 2 / RNA polymerase II, Rpb2 subunit, wall domain / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1 funnel domain / RNA polymerase, RBP11-like subunit ...: / DNA-directed RNA polymerase subunit beta', hybrid domain / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; domain 3 / RNA polymerase Rpb2, domain 2 / RNA polymerase II, Rpb2 subunit, wall domain / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1 funnel domain / RNA polymerase, RBP11-like subunit / Enzyme I; Chain A, domain 2 / 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 / 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) / 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
Kanglemycin A / DNA / DNA (> 10) / DNA-directed RNA polymerase subunit beta / DNA-directed RNA polymerase subunit beta' / DNA-directed RNA polymerase subunit alpha / DNA-directed RNA polymerase subunit omega / RNA polymerase sigma factor SigA
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
Bacillus subtilis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.994 Å
AuthorsMolodtsov, V. / Murakami, K.S.
Funding support United Kingdom, United States, 3items
OrganizationGrant numberCountry
Wellcome Trust102851 United Kingdom
Leverhulme TrustPLP-2014-229 United Kingdom
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM087350 United States
CitationJournal: Mol. Cell / Year: 2018
Title: Mode of Action of Kanglemycin A, an Ansamycin Natural Product that Is Active against Rifampicin-Resistant Mycobacterium tuberculosis.
Authors: Mosaei, H. / Molodtsov, V. / Kepplinger, B. / Harbottle, J. / Moon, C.W. / Jeeves, R.E. / Ceccaroni, L. / Shin, Y. / Morton-Laing, S. / Marrs, E.C.L. / Wills, C. / Clegg, W. / Yuzenkova, Y. ...Authors: Mosaei, H. / Molodtsov, V. / Kepplinger, B. / Harbottle, J. / Moon, C.W. / Jeeves, R.E. / Ceccaroni, L. / Shin, Y. / Morton-Laing, S. / Marrs, E.C.L. / Wills, C. / Clegg, W. / Yuzenkova, Y. / Perry, J.D. / Bacon, J. / Errington, J. / Allenby, N.E.E. / Hall, M.J. / Murakami, K.S. / Zenkin, N.
History
DepositionMar 26, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 25, 2018Provider: repository / Type: Initial release
Revision 1.1Oct 3, 2018Group: Data collection / Database references / Category: citation
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.year
Revision 1.2Oct 31, 2018Group: Data collection / Database references / Category: citation / citation_author
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_PubMed / _citation.title
Revision 1.3Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Mar 13, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _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 SigA
G: DNA (5'-D(P*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3')
H: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*CP*TP*CP*TP*GP*AP*TP*GP*CP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)442,90013
Polymers441,7348
Non-polymers1,1655
Water00
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area51170 Å2
ΔGint-220 kcal/mol
Surface area141740 Å2
MethodPISA
Unit cell
Length a, b, c (Å)185.221, 101.315, 294.279
Angle α, β, γ (deg.)90.00, 98.89, 90.00
Int Tables number5
Space group name H-MC121

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Components

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DNA-directed RNA polymerase subunit ... , 4 types, 5 molecules ABCDE

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


Mass: 35056.164 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / Gene: rpoA, TT_C1300 / Production host: Thermus thermophilus (bacteria) / References: UniProt: Q72I32, DNA-directed RNA polymerase
#2: Protein DNA-directed RNA polymerase subunit beta / RNAP subunit beta / RNA polymerase subunit beta / Transcriptase subunit beta


Mass: 125436.539 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / Gene: rpoB, TT_C1461 / Production host: Thermus thermophilus (bacteria) / References: UniProt: Q72HM5, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase subunit beta' / RNAP subunit beta' / RNA polymerase subunit beta' / Transcriptase subunit beta'


Mass: 170997.391 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / Gene: rpoC, TT_C1460 / Production host: Thermus thermophilus (bacteria) / References: UniProt: Q72HM6, DNA-directed RNA polymerase
#4: Protein DNA-directed RNA polymerase subunit omega / RNAP omega subunit / RNA polymerase omega subunit / Transcriptase subunit omega


Mass: 11533.316 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / Gene: rpoZ, TT_C1196 / Production host: Thermus thermophilus (bacteria) / References: UniProt: Q72ID6, DNA-directed RNA polymerase

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Protein , 1 types, 1 molecules F

#5: Protein RNA polymerase sigma factor SigA


Mass: 48568.008 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / Gene: sigA, rpoD, TT_C0164 / Production host: Thermus thermophilus (bacteria) / References: UniProt: Q72L95

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DNA chain , 2 types, 2 molecules GH

#6: DNA chain DNA (5'-D(P*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3')


Mass: 6674.347 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus subtilis (bacteria) / Production host: synthetic construct (others)
#7: DNA chain DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*CP*TP*CP*TP*GP*AP*TP*GP*CP*A)-3')


Mass: 8412.417 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus subtilis (bacteria) / Production host: synthetic construct (others)

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Non-polymers , 3 types, 5 molecules

#8: Chemical ChemComp-KNG / Kanglemycin A / 4-{(1S)-1-[(1S,2S,12S,16S,17R,18S,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-23-[(2,6-dideoxy-3,4-O-methylidene-beta-D-ribo-hexopyranosyl)oxy]-1,5,6,9,17,19-hexahydroxy-2,4,12,18,20,22-hexamethyl-11-oxo-1,2-dihydro-2,7-(epoxypentadec[1]enoimino)naphtho[2,1-b]furan-16-yl]ethoxy}-3,3-dimethyl-4-oxobutanoic acid


Mass: 986.062 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C50H67NO19
#9: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#10: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg

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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: 3.09 Å3/Da / Density % sol: 60.16 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop
Details: 0.1 M Tris-HCl (pH 8.0), 0.2 M KCl, 50 mM MgCl2, 9.5% PEG4000

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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: Dec 11, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 2.794→46.304 Å / Num. obs: 127584 / % possible obs: 95.45 % / Redundancy: 3.2 % / Net I/σ(I): 7.78
Reflection shellResolution: 2.794→2.864 Å

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Processing

Software
NameVersionClassification
PHENIX(1.13_2998: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.994→46.305 Å / SU ML: 0.42 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.62 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2483 1990 1.85 %
Rwork0.2012 --
obs0.202 107361 98.7 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.994→46.305 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27468 799 74 0 28341
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00628933
X-RAY DIFFRACTIONf_angle_d1.08939325
X-RAY DIFFRACTIONf_dihedral_angle_d20.41317620
X-RAY DIFFRACTIONf_chiral_restr0.0614445
X-RAY DIFFRACTIONf_plane_restr0.0065014
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.9939-3.06880.36621120.31816434X-RAY DIFFRACTION85
3.0688-3.15170.3361350.30687473X-RAY DIFFRACTION99
3.1517-3.24450.36741450.28547564X-RAY DIFFRACTION100
3.2445-3.34920.32321470.26037562X-RAY DIFFRACTION100
3.3492-3.46880.28011420.2457570X-RAY DIFFRACTION100
3.4688-3.60770.30811440.23037609X-RAY DIFFRACTION100
3.6077-3.77180.25641490.20357613X-RAY DIFFRACTION100
3.7718-3.97050.21721330.1937549X-RAY DIFFRACTION100
3.9705-4.21910.23231450.18377697X-RAY DIFFRACTION100
4.2191-4.54460.19831460.17157519X-RAY DIFFRACTION100
4.5446-5.00150.22781420.17027675X-RAY DIFFRACTION100
5.0015-5.72410.23391470.19137635X-RAY DIFFRACTION100
5.7241-7.20740.25951530.20967695X-RAY DIFFRACTION100
7.2074-46.31060.21491500.16987776X-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)
10.04190.09-0.01030.2021-0.03520.0330.00980.0758-0.01090.27130.2085-0.1328-0.11610.00450.01521.00560.004-0.05941.8863-0.03550.5773653.137926.5602718.4064
20.2226-0.26570.04650.9669-0.31160.11660.1098-0.1007-0.03910.5236-0.0208-0.0378-0.01610.08340.51420.6122-0.1395-0.12811.0991-0.26260.4849670.190227.79695.7098
30.11440.1594-0.02850.4175-0.24930.23360.2273-0.53350.06030.4026-0.2192-0.3129-0.01860.3648-0.10810.6215-0.131-0.16141.6565-0.19040.6689683.999123.2378699.6387
40.08180.03050.06250.19270.00250.07350.0393-0.41390.0440.2559-0.07180.0812-0.01790.41220.00060.6854-0.2611-0.03781.3604-0.27770.6714681.136927.4292691.7522
50.51150.1151-0.29010.10920.0250.26670.0975-0.2646-0.18910.23710.40960.05660.19-0.170.00951.0824-0.05190.12041.6309-0.01930.7461646.788922.2462715.0865
61.3568-0.1119-0.17320.01550.1361.1518-0.0496-0.85340.07610.26880.1415-0.24170.07230.5219-0.19470.9124-0.22270.03681.4578-0.41420.6374657.156634.5271708.9072
70.5311-0.48690.40090.5071-0.33440.29930.005-0.3104-0.1673-0.08110.14380.1373-0.5856-0.24710.11860.9725-0.03640.15360.85-0.16620.5149639.140741.9677702.2773
80.0725-0.0431-0.03940.127-0.1020.1637-0.0365-0.07190.14590.08410.05030.2721-0.4869-0.18550.00071.02620.21150.14771.52930.02590.7206612.694737.4658712.3435
90.10680.01960.08490.01570.05440.16260.1569-0.2560.2514-0.2017-0.0751-0.1052-0.2117-0.2710.00081.20270.30180.18391.416-0.0350.6885613.790940.7357714.6212
100.09810.0233-0.02520.1292-0.14810.14590.259-0.29510.3438-0.16950.0419-0.2107-0.29060.3297-0.00090.9958-0.11640.1410.9474-0.23740.6026644.618441.3877702.069
110.5904-0.04610.30320.6949-0.19060.70720.04780.1866-0.4272-0.05440.0831-0.54390.18370.65280.04610.58790.15410.01320.7611-0.15130.7607683.0369-7.2933653.2638
120.0079-0.02780.02720.0150.03410.0199-0.80860.9397-0.3115-0.69040.10130.38520.1315-0.6133-1.13491.0685-0.59180.05391.1634-0.40810.7256656.7679-19.3692632.7653
130.9235-0.12110.06740.84340.0360.9721-0.0480.0155-0.2599-0.0985-0.0859-0.03160.32840.1834-0.38110.55250.0780.05460.2853-0.01950.4926663.0249-7.8873660.5564
140.4401-0.39370.17730.91410.08440.3841-0.0135-0.4426-0.03610.0866-0.0188-0.29240.08660.54090.02190.4346-0.067-0.06060.7595-0.09450.4924674.659318.9798674.3736
150.6818-0.10710.02920.2680.28680.2805-0.025-0.3466-0.01030.19540.03240.0028-0.11630.37970.08220.4337-0.14630.01060.429-0.10120.4321651.654224.3577670.6691
16-0.1443-0.554-0.83840.07240.27570.5580.18730.4848-0.1081-0.2336-0.3048-0.0327-0.2415-0.2513-0.17810.6223-0.01370.06181.4501-0.32170.6801670.91129.1686592.3933
171.1535-0.3786-0.36380.4113-0.0571.67820.1192-0.1257-0.16330.13520.0190.2555-0.1668-0.24170.42910.2138-0.2862-0.0717-0.0452-0.24050.4131631.220421.4375661.6048
180.0563-0.058-0.03840.1876-0.05890.0894-0.0889-0.07010.09790.0585-0.04830.1477-0.18930.0691-0.45460.8494-0.19040.14090.1442-0.15970.6562636.779354.9205663.2933
190.1352-0.0888-0.05970.1212-0.0340.1198-0.12-0.17090.24680.2940.0962-0.2498-0.03220.0439-0.01730.9084-0.2090.04650.2688-0.29890.6369644.422755.9037672.2743
200.0061-0.01090.00830.022-0.02380.0163-0.12150.26740.5247-0.2005-0.0234-0.4137-0.78770.35810.00241.4458-0.14160.07410.73430.05751.1345637.487765.1827653.3504
210.2009-0.10010.08420.33220.15390.33650.07020.57430.0661-0.4764-0.1507-0.2091-0.2708-0.091200.9058-0.00170.07291.3077-0.16890.706677.216.0899595.1188
220.33960.18430.05630.6107-0.15290.06890.26640.41790.0428-0.0263-0.1382-0.41650.11570.00620.02870.5504-0.0989-0.02981.0683-0.11630.6577685.917415.762627.8207
230.15730.03810.16330.10350.1140.2604-0.4039-0.21230.7379-0.1459-0.26140.4593-0.1697-0.2564-0.01860.9074-0.29630.03530.8405-0.01091.2866681.801765.407647.3696
240.09070.2141-0.09950.4978-0.2891.06850.03250.2299-0.025-0.21490.07160.52220.3011-0.1734-0.15051.0527-0.4779-0.01011.3755-0.2171.9909631.71930.1438621.7565
251.62141.01781.51331.09211.29583.62620.199-0.175-0.66530.4184-0.2903-0.10080.1644-0.06150.01830.8007-0.26670.1350.7657-0.28081.0734648.846613.5491641.5679
260.70710.0427-1.19443.53632.51636.68450.01350.1031-0.30.03960.0295-0.79690.58190.9327-0.07041.2979-0.13280.35431.9064-0.07821.5189663.76320.8088656.3846
273.6930.3581-1.13251.6372-0.27512.41850.0605-0.1452-0.28110.19030.0088-0.19620.64030.3869-0.10951.041-0.05560.04251.3033-0.12591.1382682.5087-0.0235612.3709
280.1436-0.03720.0530.06380.05260.2928-0.2080.0357-0.1855-0.03790.0529-0.36650.59050.72350.02161.2888-0.11690.14060.84680.0021.0706650.94391.2373637.1107
290.72430.3560.03631.4096-0.36020.11720.07080.497-0.3878-0.9606-0.0724-0.03570.4932-0.08310.0341.6788-0.03380.0681.6935-0.41721.3906637.53344.8342622.2563
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 4:31 )A4 - 31
2X-RAY DIFFRACTION2( CHAIN A AND RESID 32:68 )A32 - 68
3X-RAY DIFFRACTION3( CHAIN A AND RESID 69:127 )A69 - 127
4X-RAY DIFFRACTION4( CHAIN A AND RESID 128:173 )A128 - 173
5X-RAY DIFFRACTION5( CHAIN A AND RESID 174:191 )A174 - 191
6X-RAY DIFFRACTION6( CHAIN A AND RESID 192:229 )A192 - 229
7X-RAY DIFFRACTION7( CHAIN B AND RESID 7:58 )B7 - 58
8X-RAY DIFFRACTION8( CHAIN B AND RESID 59:95 )B59 - 95
9X-RAY DIFFRACTION9( CHAIN B AND RESID 96:173 )B96 - 173
10X-RAY DIFFRACTION10( CHAIN B AND RESID 174:228 )B174 - 228
11X-RAY DIFFRACTION11( CHAIN C AND RESID 1:136 )C1 - 136
12X-RAY DIFFRACTION12( CHAIN C AND RESID 137:335 )C137 - 335
13X-RAY DIFFRACTION13( CHAIN C AND RESID 336:577 )C336 - 577
14X-RAY DIFFRACTION14( CHAIN C AND RESID 578:897 )C578 - 897
15X-RAY DIFFRACTION15( CHAIN C AND RESID 898:1118 )C898 - 1118
16X-RAY DIFFRACTION16( CHAIN D AND RESID 3:582 )D3 - 582
17X-RAY DIFFRACTION17( CHAIN D AND RESID 583:1502 )D583 - 1502
18X-RAY DIFFRACTION18( CHAIN E AND RESID 2:46 )E2 - 46
19X-RAY DIFFRACTION19( CHAIN E AND RESID 47:70 )E47 - 70
20X-RAY DIFFRACTION20( CHAIN E AND RESID 71:95 )E71 - 95
21X-RAY DIFFRACTION21( CHAIN F AND RESID 78:202 )F78 - 202
22X-RAY DIFFRACTION22( CHAIN F AND RESID 203:340 )F203 - 340
23X-RAY DIFFRACTION23( CHAIN F AND RESID 341:423 )F341 - 423
24X-RAY DIFFRACTION24( CHAIN G AND RESID 3:7 )G3 - 7
25X-RAY DIFFRACTION25( CHAIN G AND RESID 8:17 )G8 - 17
26X-RAY DIFFRACTION26( CHAIN G AND RESID 18:19 )G18 - 19
27X-RAY DIFFRACTION27( CHAIN H AND RESID 1:10 )H1 - 10
28X-RAY DIFFRACTION28( CHAIN H AND RESID 11:18 )H11 - 18
29X-RAY DIFFRACTION29( CHAIN H AND RESID 19:25 )H19 - 25

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