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- PDB-7rim: RNA polymerase II elongation complex with hairpin polyamide Py-Im... -

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Basic information

Entry
Database: PDB / ID: 7rim
TitleRNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1
Components
  • (DNA-directed RNA polymerase II subunit ...Polymerase) x 5
  • (DNA-directed RNA polymerases I, II, and III subunit ...RNA polymerase) x 5
  • Non-template DNA
  • RNA
  • Template strand DNA
KeywordsDNA BINDING PROTEIN/DNA/RNA / RNA polymerase II / elongation complex / polyamide / small molecule / TRANSCRIPTION / DNA BINDING PROTEIN-DNA-RNA complex
Function / homology
Function and homology information


RNA Polymerase I Transcription Initiation / Processing of Capped Intron-Containing Pre-mRNA / : / RNA Polymerase III Transcription Initiation From Type 2 Promoter / RNA Pol II CTD phosphorylation and interaction with CE / Formation of the Early Elongation Complex / mRNA Capping / termination of RNA polymerase II transcription / Formation of TC-NER Pre-Incision Complex / RNA polymerase II transcribes snRNA genes ...RNA Polymerase I Transcription Initiation / Processing of Capped Intron-Containing Pre-mRNA / : / RNA Polymerase III Transcription Initiation From Type 2 Promoter / RNA Pol II CTD phosphorylation and interaction with CE / Formation of the Early Elongation Complex / mRNA Capping / termination of RNA polymerase II transcription / Formation of TC-NER Pre-Incision Complex / RNA polymerase II transcribes snRNA genes / RNA Polymerase I Promoter Escape / TP53 Regulates Transcription of DNA Repair Genes / Estrogen-dependent gene expression / RNA Polymerase II Promoter Escape / RNA Polymerase II Transcription Pre-Initiation And Promoter Opening / RNA Polymerase II Transcription Initiation / RNA Polymerase II Transcription Initiation And Promoter Clearance / RNA-templated transcription / termination of RNA polymerase III transcription / RNA Polymerase II Pre-transcription Events / maintenance of transcriptional fidelity during transcription elongation by RNA polymerase II / Dual incision in TC-NER / RNA polymerase I activity / termination of RNA polymerase I transcription / transcription initiation at RNA polymerase III promoter / tRNA transcription by RNA polymerase III / nucleolar large rRNA transcription by RNA polymerase I / Gap-filling DNA repair synthesis and ligation in TC-NER / transcription initiation at RNA polymerase I promoter / transcription elongation by RNA polymerase I / RNA polymerase II activity / transcription-coupled nucleotide-excision repair / translesion synthesis / RNA polymerase I complex / transcription by RNA polymerase I / RNA polymerase III complex / transcription by RNA polymerase III / RNA polymerase II, core complex / transcription elongation by RNA polymerase II / transcription initiation at RNA polymerase II promoter / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / peroxisome / cytoplasmic stress granule / ribosome biogenesis / transcription by RNA polymerase II / nucleic acid binding / protein dimerization activity / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / metal ion binding / nucleus / cytoplasm
Similarity search - Function
RNA polymerase II, heptapeptide repeat, eukaryotic / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1 C-terminal repeat / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 7 / RNA polymerase Rpb1, domain 7 superfamily / RNA polymerase Rpb1, domain 7 / Pol II subunit B9, C-terminal zinc ribbon / RNA polymerase RBP11 ...RNA polymerase II, heptapeptide repeat, eukaryotic / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1 C-terminal repeat / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 7 / RNA polymerase Rpb1, domain 7 superfamily / RNA polymerase Rpb1, domain 7 / Pol II subunit B9, C-terminal zinc ribbon / RNA polymerase RBP11 / Zinc finger TFIIS-type signature. / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 5 / DNA-directed RNA polymerase, M/15kDa subunit / RNA polymerases M/15 Kd subunit / RNA polymerase subunit 9 / DNA-directed RNA polymerase subunit RPABC5/Rpb10 / RNA polymerases, subunit N, zinc binding site / RNA polymerase subunit RPB10 / RNA polymerases N / 8 kDa subunit / RNA polymerases N / 8 Kd subunits signature. / DNA-directed RNA polymerase M, 15kDa subunit, conserved site / RNA polymerases M / 15 Kd subunits signature. / DNA-directed RNA polymerase subunit/transcription factor S / RNA polymerase, Rpb8 / DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase Rpb8 / RNA polymerase subunit 8 / RNA polymerase, Rpb5, N-terminal / RNA polymerase Rpb5, N-terminal domain superfamily / RNA polymerase Rpb5, N-terminal domain / DNA-directed RNA polymerase, subunit RPB6 / DNA-directed RNA polymerase subunit Rpo11 / DNA directed RNA polymerase, 7 kDa subunit / RNA polymerase archaeal subunit P/eukaryotic subunit RPABC4 / RNA polymerase, subunit H/Rpb5, conserved site / RNA polymerases H / 23 Kd subunits signature. / RNA polymerase subunit CX / DNA-directed RNA polymerase Rpb11, 13-16kDa subunit, conserved site / DNA-directed RNA polymerase subunit Rpo5/Rpb5 / RNA polymerases L / 13 to 16 Kd subunits signature. / Zinc finger, TFIIS-type / Transcription factor S-II (TFIIS) / Zinc finger TFIIS-type profile. / C2C2 Zinc finger / DNA-directed RNA polymerase, 30-40kDa subunit, conserved site / DNA-directed RNA polymerase subunit Rpo3/Rpb3/RPAC1 / RNA polymerases D / 30 to 40 Kd subunits signature. / DNA-directed RNA polymerase, RBP11-like dimerisation domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerase, subunit H/Rpb5 C-terminal / RNA polymerase subunit RPABC4/transcription elongation factor Spt4 / RPB5-like RNA polymerase subunit superfamily / RNA polymerase Rpb5, C-terminal domain / Archaeal Rpo6/eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, 14-18kDa subunit, conserved site / RNA polymerases K / 14 to 18 Kd subunits signature. / 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 / 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
Similarity search - Domain/homology
Chem-5N0 / DNA / DNA (> 10) / RNA / DNA-directed RNA polymerase II subunit RPB1 / DNA-directed RNA polymerase II subunit RPB2 / DNA-directed RNA polymerase II subunit RPB3 / DNA-directed RNA polymerases I, II, and III subunit RPABC1 / DNA-directed RNA polymerases I, II, and III subunit RPABC2 / DNA-directed RNA polymerases I, II, and III subunit RPABC3 ...Chem-5N0 / DNA / DNA (> 10) / RNA / DNA-directed RNA polymerase II subunit RPB1 / DNA-directed RNA polymerase II subunit RPB2 / DNA-directed RNA polymerase II subunit RPB3 / DNA-directed RNA polymerases I, II, and III subunit RPABC1 / DNA-directed RNA polymerases I, II, and III subunit RPABC2 / DNA-directed RNA polymerases I, II, and III subunit RPABC3 / DNA-directed RNA polymerases I, II, and III subunit RPABC5 / DNA-directed RNA polymerase II subunit RPB9 / DNA-directed RNA polymerase II subunit RPB11 / DNA-directed RNA polymerases I, II, and III subunit RPABC4
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å
Model detailsRNA polymerase II, 5-guanidinohydantoin, elongation complex, DNA lesion
AuthorsOh, J. / Dervan, P.B. / Wang, D.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM102362 United States
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2022
Title: RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Authors: Oh, J. / Jia, T. / Xu, J. / Chong, J. / Dervan, P.B. / Wang, D.
History
DepositionJul 20, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 12, 2022Provider: repository / Type: Initial release
Revision 1.1Jul 27, 2022Group: 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.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
R: RNA
T: Template strand DNA
N: Non-template DNA
A: DNA-directed RNA polymerase II subunit RPB1
B: DNA-directed RNA polymerase II subunit RPB2
C: DNA-directed RNA polymerase II subunit RPB3
E: DNA-directed RNA polymerases I, II, and III subunit RPABC1
F: DNA-directed RNA polymerases I, II, and III subunit RPABC2
H: DNA-directed RNA polymerases I, II, and III subunit RPABC3
I: DNA-directed RNA polymerase II subunit RPB9
J: DNA-directed RNA polymerases I, II, and III subunit RPABC5
K: DNA-directed RNA polymerase II subunit RPB11
L: DNA-directed RNA polymerases I, II, and III subunit RPABC4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)489,81723
Polymers487,91113
Non-polymers1,90610
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)167.220, 221.930, 193.710
Angle α, β, γ (deg.)90.000, 99.630, 90.000
Int Tables number5
Space group name H-MC121

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Components

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RNA chain , 1 types, 1 molecules R

#1: RNA chain RNA /


Mass: 2934.831 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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DNA chain , 2 types, 2 molecules TN

#2: DNA chain Template strand DNA


Mass: 9092.825 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: DNA chain Non-template DNA


Mass: 6257.069 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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DNA-directed RNA polymerase II subunit ... , 5 types, 5 molecules ABCIK

#4: Protein DNA-directed RNA polymerase II subunit RPB1 / Polymerase / RNA polymerase II subunit B1 / DNA-directed RNA polymerase III largest subunit / RNA polymerase II ...RNA polymerase II subunit B1 / DNA-directed RNA polymerase III largest subunit / RNA polymerase II subunit B220


Mass: 191821.578 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P04050, DNA-directed RNA polymerase
#5: Protein DNA-directed RNA polymerase II subunit RPB2 / Polymerase / RNA polymerase II subunit 2 / B150 / DNA-directed RNA polymerase II 140 kDa polypeptide


Mass: 138937.297 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P08518, DNA-directed RNA polymerase
#6: Protein DNA-directed RNA polymerase II subunit RPB3 / Polymerase / RNA polymerase II subunit B3 / B44.5 / DNA-directed RNA polymerase II 45 kDa polypeptide


Mass: 35330.457 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P16370
#10: Protein DNA-directed RNA polymerase II subunit RPB9 / Polymerase / RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA- ...RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA-directed RNA polymerase II subunit 9


Mass: 14308.161 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P27999
#12: Protein DNA-directed RNA polymerase II subunit RPB11 / Polymerase / RNA polymerase II subunit B11 / B13.6 / DNA-directed RNA polymerase II 13.6 kDa polypeptide


Mass: 13633.493 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P38902

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DNA-directed RNA polymerases I, II, and III subunit ... , 5 types, 5 molecules EFHJL

#7: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC1 / RNA polymerase / RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / and III 27 ...RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / and III 27 kDa polypeptide


Mass: 25117.094 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20434
#8: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC2 / RNA polymerase / RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / and III 23 ...RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / and III 23 kDa polypeptide


Mass: 17931.834 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20435
#9: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC3 / RNA polymerase / RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I ...RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I / and III 14.5 kDa polypeptide


Mass: 16525.363 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20436
#11: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC5 / RNA polymerase / RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I ...RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I / and III 8.3 kDa polypeptide


Mass: 8290.732 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P22139
#13: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase / RNA polymerases I / II / and III subunit ABC4 / ABC10-alpha


Mass: 7729.969 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P40422

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Non-polymers , 3 types, 10 molecules

#14: Chemical ChemComp-5N0 / 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid


Mass: 1358.427 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C64H75N23O12 / Feature type: SUBJECT OF INVESTIGATION
#15: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#16: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg

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Details

Has ligand of interestY

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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: 3.63 Å3/Da / Density % sol: 66.13 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 390mM (NH4)2HPO4/NaH2PO4, pH 6.5, 5mM dioxane, 5mM DTT, 10-12% PEG6000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.9999 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 21, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9999 Å / Relative weight: 1
ReflectionResolution: 2.9→82.432 Å / Num. obs: 153630 / % possible obs: 99.68 % / Redundancy: 2 % / CC1/2: 0.99 / CC star: 0.998 / Net I/σ(I): 5.83

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Processing

Software
NameVersionClassification
PHENIX1.13refinement
PDB_EXTRACT3.27data extraction
MOSFLMdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6UQ2

6uq2


Resolution: 2.9→82.432 Å / SU ML: 0.47 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 30.49 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2508 7751 5.06 %
Rwork0.2151 145397 -
obs0.217 153148 99.68 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 288.37 Å2 / Biso mean: 99.3997 Å2 / Biso min: 25.93 Å2
Refinement stepCycle: final / Resolution: 2.9→82.432 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28047 1036 108 0 29191
Biso mean--174.92 --
Num. residues----3601
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.9-2.9330.41582520.4053466797
2.933-2.96750.43332400.3946478098
2.9675-3.00370.37582520.373480699
3.0037-3.04170.37932660.3553483799
3.0417-3.08170.38342300.35724837100
3.0817-3.12390.37282690.34814788100
3.1239-3.16860.37292390.33734855100
3.1686-3.21580.34952500.32764865100
3.2158-3.26610.35642370.3074838100
3.2661-3.31960.36782330.29614878100
3.3196-3.37690.3052720.27924855100
3.3769-3.43830.33282410.26294845100
3.4383-3.50440.27392630.25464868100
3.5044-3.5760.29942620.24684824100
3.576-3.65370.28782770.23664898100
3.6537-3.73870.24852490.22274782100
3.7387-3.83220.26742580.21824895100
3.8322-3.93580.2372850.20324802100
3.9358-4.05160.23392780.18524819100
4.0516-4.18240.20792530.17264917100
4.1824-4.33190.21112700.16974839100
4.3319-4.50530.1852540.15594873100
4.5053-4.71030.19872640.14964847100
4.7103-4.95860.17392670.15414870100
4.9586-5.26930.21092710.16834847100
5.2693-5.6760.22832560.18874880100
5.676-6.2470.23932990.20334836100
6.247-7.15060.25232550.20054892100
7.1506-9.00720.18242420.16444919100
9.0072-82.4320.22642670.1907493899
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)
19.52574.9088-3.16123.5045-4.40058.95250.2913-0.3554-0.7607-0.6396-0.9179-0.9641-0.0271.77090.49580.8850.0571-0.07310.83450.0290.974514.24212.77339.6392
25.1629-4.42620.66255.48880.33982.03211.40811.074-3.09930.60791.1544-6.27350.86512.2183-2.44081.38710.2568-0.54112.0586-0.1233.46459.934710.944879.2469
37.62321.49160.5910.2950.11250.0482-0.128-0.649-0.7832-0.79711.04441.82690.6092-1.5179-1.5542.5111-0.2347-0.46192.4064-0.09832.063541.773813.306673.7261
44.12181.45990.27376.8621-1.12291.156-0.5494-0.65360.4806-0.08760.0951-1.52840.03190.45620.26361.5392-0.0357-0.04311.3066-0.1371.278121.013711.44344.1194
52.65461.97621.84941.41921.33032.0538-1.18690.51831.7931.0140.4886-0.2991-0.97960.70190.55841.7147-0.0321-0.29731.80210.21051.972343.815712.465172.603
62.0544-0.12640.63390.6751-0.19461.9392-0.15250.47460.86230.1142-0.1399-0.6248-0.45671.12550.10990.8203-0.2431-0.31871.01660.22881.247447.52399.546539.2814
70.5711-0.11430.11910.63950.07810.75370.1755-0.0141-0.17950.23640.01610.02260.5414-0.1235-0.16220.7966-0.094-0.19070.42060.09390.45420.2465-13.708950.8321
80.43140.13240.16972.7099-1.73782.13210.0934-0.1336-0.1947-0.09810.15490.21160.60840.0482-0.10411.37130.1149-0.4550.49860.02520.698620.3482-41.438363.2077
90.15620.33920.26022.40871.91772.58230.2436-0.17140.03320.9448-0.16840.03870.5405-0.18550.02541.74390.1184-0.39850.6576-0.13090.774725.0395.236797.4395
10-0.230.71140.4924.64153.6282.54580.1246-0.17250.06310.93340.0396-0.01440.15180.149-0.12491.63870.2384-0.46720.7208-0.10480.759726.9563-2.58593.279
111.92570.71560.30470.843-0.69844.14750.08730.04140.35280.4837-0.0028-0.3445-0.25170.7059-0.02620.8750.0957-0.42430.4489-0.02670.799433.484-11.32752.5608
122.13320.5595-0.01371.2773-0.2981.2768-0.16080.23250.6611-0.18370.0909-0.0631-0.55340.19930.00610.8252-0.1121-0.00540.39650.15070.60621.38741.736641.1397
135.83822.31423.85392.89653.30574.0958-0.30760.31470.31670.10520.3758-0.8407-0.04930.6101-0.03491.0596-0.21520.10050.4981-0.1470.63722.485729.150571.6923
140.6445-0.32351.08420.28830.29342.3321-0.0110.140.3060.2670.0427-0.2357-0.42130.5513-0.0260.7366-0.1997-0.02710.5150.00930.569420.14635.606164.0205
151.20080.15180.44941.45030.55412.48340.113-0.23110.120.3258-0.04970.0341-0.3089-0.2898-0.01920.66370.01610.07270.37960.05870.324-6.992733.365869.4759
161.04370.01360.25921.3190.00932.29660.14380.25140.0398-0.039-0.0583-0.1838-0.17690.191-0.06920.2674-0.0310.00990.46920.06220.3124-3.505910.625728.4295
171.212-0.56040.07340.7304-0.1231.12470.0770.41590.27540.0534-0.0954-0.29450.13180.206-0.01090.5504-0.1313-0.15690.4210.09680.439112.9665-2.754236.4681
183.13681.5698-1.11923.564-2.59893.72750.0483-0.2193-0.254-0.07390.01820.01570.3547-0.54960.02710.5601-0.2672-0.2220.84340.0070.4895-34.9784-13.063526.789
190.8895-0.3596-0.0631.80151.04022.1281-0.00090.2212-0.0443-0.43020.02790.22670.0686-0.4028-0.05030.728-0.0757-0.17790.86610.10130.405-23.63113.890811.4268
201.27250.38340.272.2034-0.80761.87460.23380.1978-0.0369-0.2919-0.06160.46290.2309-0.4267-0.20030.5660.0097-0.18650.6752-0.02570.4422-29.58042.829525.3086
211.4978-0.1042-0.15894.883-0.24210.02250.3138-0.2437-0.37360.411-0.10810.72540.3069-0.7546-0.33460.9248-0.3565-0.19931.11330.26190.685-38.7876-20.764651.118
223.7457-0.74210.0372.8153-1.41391.05530.640.5576-0.462-0.95-0.12960.56010.8638-0.5057-0.32270.9803-0.1868-0.39290.8926-0.00090.6135-30.8924-19.181320.5747
233.3398-0.1732-1.57650.99590.99766.16-0.2976-0.9755-0.04090.94630.2724-0.4731-0.2681.4061-0.07881.72630.2344-0.7531.2603-0.06921.053749.2992-21.451493.8041
242.20662.1109-0.24083.17170.64572.91690.2207-1.2150.66690.2607-0.255-0.8693-0.05081.1895-0.05851.3213-0.0144-0.63121.962-0.09551.541860.7646-10.892185.4332
250.91330.41470.52280.44641.01844.2511-0.3385-0.24360.03520.53050.0667-0.76620.08110.7699-0.10981.25440.3035-0.65330.7202-0.04520.902143.7668-22.462970.4198
261.39752.48353.09434.44945.40897.02640.01030.3981-0.3854-1.31910.69-0.8668-0.39520.8427-0.59851.8530.5997-0.15131.4790.06011.475151.9594-30.639139.4019
273.36633.5682-0.70494.0427-1.10425.2797-0.0262-0.3549-1.43130.38270.0623-0.75750.8290.5741-0.12591.38970.3857-0.31970.6618-0.00040.732236.4737-38.484743.4183
284.62880.18833.75072.5018-0.11623.0576-0.00890.54350.19980.2479-0.255-0.10630.36690.73610.19230.80460.1438-0.21510.4683-0.04370.398326.0863-29.0630.3638
299.06762.60440.4158.5945-0.99083.87830.44081.1095-0.7758-0.4874-0.0566-0.17161.0003-0.0473-0.46051.64120.4839-0.35831.1734-0.09470.628720.5114-35.898419.2001
306.5631-4.84975.24874.2501-5.54598.36330.35460.4089-0.86-0.6737-0.18580.69071.0211-0.5342-0.06121.40680.164-0.35290.6435-0.14830.717719.6624-35.232427.0898
314.38980.4452-2.56044.5913-2.98943.13560.12150.4458-0.6958-0.42280.6608-0.53020.40380.2207-0.57181.55890.2643-0.10320.9745-0.37220.779228.062-39.999528.2021
328.7643-0.9167-4.52941.8058-0.81568.32840.15061.0212-0.2404-0.5667-0.2958-0.30390.1620.46340.20180.84530.25750.07540.7417-0.180.551838.2375-31.221737.6837
335.213-0.7647-5.67240.48591.11536.3791.0611-0.52870.0561-0.4464-0.7013-1.00760.97732.0636-0.50420.78970.2318-0.06590.935-0.10770.773841.2341-32.32241.7744
345.54614.93541.06275.6571-1.91056.703-0.15010.1068-0.5031-0.2880.096-0.27731.31150.6819-0.16361.17170.2759-0.23680.715-0.1090.644228.3573-40.258137.7734
353.8863-2.9393-2.85227.78537.0958.96070.1063-0.754-0.69731.0758-0.43950.77181.0626-0.00770.25481.6171-0.4123-0.14930.8890.44121.5424-24.8952-49.288165.3861
364.23311.2589-2.14123.6815-4.32485.2093-0.0451-0.1777-0.00250.9821-0.09610.03990.2099-0.27540.03431.4147-0.5792-0.19470.9750.32180.9464-22.8742-34.300765.6613
372.9472-0.84834.46842.35080.87398.9965-0.1729-0.5007-0.61791.1911-0.1763-0.03310.4338-0.77220.68441.3179-0.3547-0.17360.79050.27111.2377-23.1759-47.323369.5953
382.86741.2482-2.59171.8738-3.72179.2861-0.4487-0.7695-0.13780.07690.12980.66130.4708-0.58960.27280.9955-0.3944-0.07280.91260.26281.2255-31.7834-37.889763.2003
391.63110.8211-0.88444.5298-1.9056.04480.1219-0.1137-0.7818-0.7691-0.05610.68520.82980.19990.19651.5703-0.3264-0.3190.74880.231.0501-22.2356-49.290549.2231
405.54962.50420.40896.42960.36850.6137-0.76620.7974-0.4759-0.77310.29480.6820.462-0.20640.20691.4046-0.7328-0.26190.96840.23671.3464-27.769-48.652848.2955
411.4431-1.52620.1063.0408-3.38217.4976-0.3958-0.5903-0.85820.7299-0.1842-0.95890.89950.66370.75761.5605-0.3398-0.33011.10440.71291.3874-10.2314-49.098366.0976
423.3448-1.14710.0298.585-5.12248.874-0.2958-0.7714-1.0831.21330.0334-0.87990.30280.54410.69431.7475-0.4962-0.38670.950.4720.9069-15.9349-44.219564.8809
436.6593-3.09612.53817.7669-2.75224.989-0.2875-0.9801-2.03270.59810.0243-0.12710.92070.10930.47491.4373-0.3233-0.21890.89190.40251.358-18.2442-53.089359.8561
442.2651.2321-0.60312.6395-0.74923.09080.4098-0.02450.09950.55780.1529-0.1370.11220.04010.08861.8446-0.0121-0.38390.5904-0.32340.748827.779442.919799.9007
451.728-0.74342.31593.84-1.24525.58370.2657-0.1828-0.05821.0112-0.4281-1.1529-0.36530.7809-0.01571.7953-0.0344-0.56940.7085-0.18431.194736.715836.6692110.6862
460.52910.7662-0.97675.114-1.7292.20270.17060.0136-0.00350.4849-0.0485-0.28280.22570.3502-0.0671.242-0.004-0.2370.6732-0.17790.827626.917632.9408102.4849
474.44780.7588-1.79952.9481.05727.06320.1277-0.5281-0.312-0.4908-0.3215-0.5397-0.64060.6122-0.11120.969-0.0642-0.13180.69940.07650.3762-3.948328.032890.5564
487.2261-6.31083.09438.1904-0.21093.9423-0.0259-0.8895-0.51640.3746-0.11530.1869-0.02740.56390.07030.6008-0.13620.08150.88060.0760.2548-9.660327.4874104.1616
495.3477-0.9881-4.60331.6982.00236.87980.7886-0.2830.3152-0.2078-0.04390.2718-0.18440.4750.02470.7360.0577-0.05010.537-0.07610.3976-7.218424.359193.1081
504.2511-4.3102-2.92765.29221.47165.4633-0.22850.46020.0974-0.1757-0.0647-1.32110.98990.48040.14521.15180.0510.08350.779-0.02780.71598.944617.077189.4614
516.52920.90674.90849.7817-3.58066.951-0.8398-0.65730.20041.17790.72090.28870.2201-0.62280.10280.8817-0.0279-0.04790.56150.05240.2028-2.942123.818695.1973
524.2077-5.14210.02156.3692-0.50143.5097-0.8684-1.25260.67631.00791.0913-0.7801-0.2665-0.5365-0.19151.02540.0501-0.20470.7957-0.08780.4792-4.643428.598698.9702
537.8055-1.6019-3.645.1466-3.84966.0863-1.0351-2.54050.33682.15710.6194-1.4931-0.00050.79540.22411.62680.2261-0.48161.103-0.11630.88532.406216.3914103.0071
542.95190.0692-0.60344.70091.34885.78920.17920.12310.3751-0.3967-0.27750.7299-0.6441-1.0424-0.13950.2076-0.0782-0.00290.6260.10610.4497-30.11611.397131.8389
551.9978-1.26150.48573.2762.28473.1028-0.28011.01231.1567-0.1428-0.10410.8242-0.1552-0.487-0.25910.3383-0.14760.04061.07280.22940.7857-39.096815.292140.9559
562.29050.1707-0.84550.8587-0.21150.5935-0.03320.28270.0967-0.030.15680.16090.1086-0.20290.1249-0.6121-0.31820.66150.83820.3091-0.007-29.00477.469437.769
574.2458-0.83556.16213.3665-2.52999.4967-0.05190.58941.1239-0.99910.0763-0.4845-0.7030.41560.040.20080.23110.14810.56110.07350.3978-18.52626.5628.0175
580.6890.25490.61733.4967-2.0762.10590.1130.3206-0.4838-0.58680.0232-0.20280.5046-0.2111-0.04810.7003-0.0458-0.14170.7689-0.01050.5031-11.0254-18.343117.7922
592.04620.4408-0.76016.0213-0.84864.32910.1284-0.1473-0.3196-0.1143-0.04430.69440.6328-0.1598-0.14660.9514-0.2348-0.45890.5344-0.02480.5516-18.7961-30.931126.9621
600.69470.0486-0.55335.13930.97740.7270.25620.5291-0.942-0.02620.16890.19320.5729-0.5648-0.12741.3058-0.2429-0.54930.6828-0.01110.8405-17.2945-32.943628.5506
613.5569-1.42350.81471.0901-0.35821.62030.59940.6277-0.8076-0.1455-0.06950.8291.1878-0.78690.10970.5866-0.7475-0.39221.01480.0251.0208-38.305-24.124822.9011
628.27412.41540.31823.053-2.39562.65350.0217-1.1130.78150.2297-0.34410.2924-0.0885-0.18670.20311.61250.1473-0.27210.9077-0.00280.7597-7.429632.647912.8324
634.75295.46032.75217.62210.32939.4151-0.65280.3492-0.8345-0.9297-0.3118-1.16410.53371.66590.75291.1330.3271-0.16941.75930.43891.4287-4.580532.76935.7941
643.1873.05450.60824.6578-1.66843.0358-0.04221.32020.8883-0.9894-0.1072-0.4735-1.2140.49080.17792.0141-0.1647-0.15111.43650.67691.6699-1.019338.71979.79
651.82821.3978-1.49475.4824-3.02542.0454-0.44180.78240.2459-0.30080.19650.0797-0.78370.0796-0.13280.99190.1206-0.23380.94580.26210.4063-8.173419.415512.5765
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'R' and (resid 1 through 9 )R1 - 9
2X-RAY DIFFRACTION2chain 'T' and (resid 3 through 7 )T3 - 7
3X-RAY DIFFRACTION3chain 'T' and (resid 8 through 12 )T8 - 12
4X-RAY DIFFRACTION4chain 'T' and (resid 13 through 28 )T13 - 28
5X-RAY DIFFRACTION5chain 'N' and (resid 3 through 17 )N3 - 17
6X-RAY DIFFRACTION6chain 'A' and (resid 3 through 373 )A3 - 373
7X-RAY DIFFRACTION7chain 'A' and (resid 374 through 845 )A374 - 845
8X-RAY DIFFRACTION8chain 'A' and (resid 846 through 1077 )A846 - 1077
9X-RAY DIFFRACTION9chain 'A' and (resid 1078 through 1220 )A0
10X-RAY DIFFRACTION10chain 'A' and (resid 1221 through 1340 )A0
11X-RAY DIFFRACTION11chain 'A' and (resid 1341 through 1446 )A0
12X-RAY DIFFRACTION12chain 'B' and (resid 20 through 212 )B20 - 212
13X-RAY DIFFRACTION13chain 'B' and (resid 213 through 271 )B213 - 271
14X-RAY DIFFRACTION14chain 'B' and (resid 272 through 528 )B272 - 528
15X-RAY DIFFRACTION15chain 'B' and (resid 529 through 763 )B529 - 763
16X-RAY DIFFRACTION16chain 'B' and (resid 764 through 1022 )B764 - 1022
17X-RAY DIFFRACTION17chain 'B' and (resid 1023 through 1221 )B0
18X-RAY DIFFRACTION18chain 'C' and (resid 2 through 51 )C2 - 51
19X-RAY DIFFRACTION19chain 'C' and (resid 52 through 104 )C52 - 104
20X-RAY DIFFRACTION20chain 'C' and (resid 105 through 195 )C105 - 195
21X-RAY DIFFRACTION21chain 'C' and (resid 196 through 226 )C196 - 226
22X-RAY DIFFRACTION22chain 'C' and (resid 227 through 268 )C227 - 268
23X-RAY DIFFRACTION23chain 'E' and (resid 4 through 89 )E4 - 89
24X-RAY DIFFRACTION24chain 'E' and (resid 90 through 130 )E90 - 130
25X-RAY DIFFRACTION25chain 'E' and (resid 131 through 215 )E131 - 215
26X-RAY DIFFRACTION26chain 'F' and (resid 69 through 73 )F69 - 73
27X-RAY DIFFRACTION27chain 'F' and (resid 74 through 86 )F74 - 86
28X-RAY DIFFRACTION28chain 'F' and (resid 87 through 102 )F87 - 102
29X-RAY DIFFRACTION29chain 'F' and (resid 103 through 116 )F103 - 116
30X-RAY DIFFRACTION30chain 'F' and (resid 117 through 126 )F117 - 126
31X-RAY DIFFRACTION31chain 'F' and (resid 127 through 132 )F127 - 132
32X-RAY DIFFRACTION32chain 'F' and (resid 133 through 137 )F133 - 137
33X-RAY DIFFRACTION33chain 'F' and (resid 138 through 147 )F138 - 147
34X-RAY DIFFRACTION34chain 'F' and (resid 148 through 154 )F148 - 154
35X-RAY DIFFRACTION35chain 'H' and (resid 2 through 16 )H2 - 16
36X-RAY DIFFRACTION36chain 'H' and (resid 17 through 30 )H17 - 30
37X-RAY DIFFRACTION37chain 'H' and (resid 31 through 43 )H31 - 43
38X-RAY DIFFRACTION38chain 'H' and (resid 44 through 53 )H44 - 53
39X-RAY DIFFRACTION39chain 'H' and (resid 54 through 82 )H54 - 82
40X-RAY DIFFRACTION40chain 'H' and (resid 83 through 99 )H83 - 99
41X-RAY DIFFRACTION41chain 'H' and (resid 100 through 118 )H100 - 118
42X-RAY DIFFRACTION42chain 'H' and (resid 119 through 127 )H119 - 127
43X-RAY DIFFRACTION43chain 'H' and (resid 128 through 146 )H128 - 146
44X-RAY DIFFRACTION44chain 'I' and (resid 2 through 14 )I2 - 14
45X-RAY DIFFRACTION45chain 'I' and (resid 15 through 28 )I15 - 28
46X-RAY DIFFRACTION46chain 'I' and (resid 29 through 52 )I29 - 52
47X-RAY DIFFRACTION47chain 'I' and (resid 53 through 74 )I53 - 74
48X-RAY DIFFRACTION48chain 'I' and (resid 75 through 79 )I75 - 79
49X-RAY DIFFRACTION49chain 'I' and (resid 80 through 87 )I80 - 87
50X-RAY DIFFRACTION50chain 'I' and (resid 88 through 98 )I88 - 98
51X-RAY DIFFRACTION51chain 'I' and (resid 99 through 103 )I99 - 103
52X-RAY DIFFRACTION52chain 'I' and (resid 104 through 111 )I104 - 111
53X-RAY DIFFRACTION53chain 'I' and (resid 112 through 119 )I112 - 119
54X-RAY DIFFRACTION54chain 'J' and (resid 1 through 26 )J1 - 26
55X-RAY DIFFRACTION55chain 'J' and (resid 27 through 38 )J27 - 38
56X-RAY DIFFRACTION56chain 'J' and (resid 39 through 55 )J39 - 55
57X-RAY DIFFRACTION57chain 'J' and (resid 56 through 65 )J56 - 65
58X-RAY DIFFRACTION58chain 'K' and (resid 1 through 23 )K1 - 23
59X-RAY DIFFRACTION59chain 'K' and (resid 24 through 52 )K24 - 52
60X-RAY DIFFRACTION60chain 'K' and (resid 53 through 82 )K53 - 82
61X-RAY DIFFRACTION61chain 'K' and (resid 83 through 114 )K83 - 114
62X-RAY DIFFRACTION62chain 'L' and (resid 28 through 36 )L28 - 36
63X-RAY DIFFRACTION63chain 'L' and (resid 37 through 41 )L37 - 41
64X-RAY DIFFRACTION64chain 'L' and (resid 42 through 51 )L42 - 51
65X-RAY DIFFRACTION65chain 'L' and (resid 52 through 70 )L52 - 70

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