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

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Basic information

Entry
Database: PDB / ID: 7rip
TitleRNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 soaked with CTP
Components
  • (DNA-directed RNA polymerase II subunit ...) x 5
  • (DNA-directed RNA polymerases I, II, and III subunit ...) x 5
  • Non-template strand 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 / RNA polymerase II transcribes snRNA genes / termination of RNA polymerase II transcription / TP53 Regulates Transcription of DNA Repair Genes / RNA Polymerase II Promoter Escape ...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 / RNA polymerase II transcribes snRNA genes / termination of RNA polymerase II transcription / TP53 Regulates Transcription of DNA Repair Genes / 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 / termination of RNA polymerase III transcription / RNA Polymerase II Pre-transcription Events / RNA-templated transcription / Formation of TC-NER Pre-Incision Complex / transcription initiation at RNA polymerase III promoter / RNA Polymerase I Promoter Escape / termination of RNA polymerase I transcription / Gap-filling DNA repair synthesis and ligation in TC-NER / transcription initiation at RNA polymerase I promoter / nucleolar large rRNA transcription by RNA polymerase I / Estrogen-dependent gene expression / maintenance of transcriptional fidelity during transcription elongation by RNA polymerase II / transcription by RNA polymerase III / Dual incision in TC-NER / translesion synthesis / RNA polymerase I complex / transcription elongation by RNA polymerase I / RNA polymerase III complex / RNA polymerase II, core complex / tRNA transcription by RNA polymerase III / transcription by RNA polymerase I / transcription-coupled nucleotide-excision repair / transcription initiation at RNA polymerase II promoter / transcription elongation by RNA polymerase II / ribonucleoside binding / DNA-directed RNA polymerase / cytoplasmic stress granule / DNA-directed RNA polymerase activity / peroxisome / ribosome biogenesis / nucleic acid binding / transcription by RNA polymerase II / protein dimerization activity / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / metal ion binding / nucleus / cytoplasm
Similarity search - Function
Gyrase A; domain 2 - #140 / RNA polymerase Rpb1, domain 3 / RNA polymerase, RBP11-like subunit / Enzyme I; Chain A, domain 2 / RNA polymerase Rpb1 C-terminal repeat / RNA polymerase II, heptapeptide repeat, eukaryotic / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / Gyrase A; domain 2 ...Gyrase A; domain 2 - #140 / RNA polymerase Rpb1, domain 3 / RNA polymerase, RBP11-like subunit / Enzyme I; Chain A, domain 2 / RNA polymerase Rpb1 C-terminal repeat / RNA polymerase II, heptapeptide repeat, eukaryotic / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / Gyrase A; domain 2 / 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 5 / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 4 / DNA-directed RNA polymerase, M/15kDa subunit / RNA polymerases M/15 Kd subunit / RNA polymerase subunit 9 / 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 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, 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, 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 Rpb11, 13-16kDa subunit, conserved site / DNA-directed RNA polymerase subunit Rpo11 / RNA polymerases L / 13 to 16 Kd subunits signature. / RNA polymerase subunit RPABC4/transcription elongation factor Spt4 / Zinc finger, TFIIS-type / Transcription factor S-II (TFIIS) / Zinc finger TFIIS-type profile. / C2C2 Zinc finger / DNA-directed RNA polymerase, RBP11-like dimerisation domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerase, subunit H/Rpb5 C-terminal / DNA-directed RNA polymerase subunit Rpo5/Rpb5 / 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. / 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
Similarity search - Domain/homology
Chem-5N0 / PYROPHOSPHATE / 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 ...Chem-5N0 / PYROPHOSPHATE / 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: 3.3 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 strand 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)490,30024
Polymers488,21613
Non-polymers2,08411
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)168.158, 223.041, 193.464
Angle α, β, γ (deg.)90.000, 100.670, 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: 3240.012 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 strand 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 / 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 / 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 / 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 / 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 / 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 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 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 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 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 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 , 4 types, 11 molecules

#14: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#15: 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
#16: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#17: Chemical ChemComp-PPV / PYROPHOSPHATE


Mass: 177.975 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: H4O7P2

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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: 3.65 Å3/Da / Density % sol: 66.31 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop
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: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 23, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.27→49.23 Å / Num. obs: 107923 / % possible obs: 100 % / Redundancy: 7.7 % / Biso Wilson estimate: 90.98 Å2 / CC1/2: 0.988 / Rmerge(I) obs: 0.38 / Rpim(I) all: 0.147 / Rrim(I) all: 0.408 / Net I/σ(I): 6.7 / Num. measured all: 829562 / Scaling rejects: 27
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
3.27-3.337.74.0134147553630.2391.5464.3020.6100
17.91-49.237.30.03147996580.9990.0120.03451.995.3

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Processing

Software
NameVersionClassification
Aimless0.7.3data scaling
PHENIX1.13refinement
PDB_EXTRACT3.27data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7RIM

7rim


Resolution: 3.3→49.225 Å / SU ML: 0.56 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 31.38 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2607 1942 1.85 %
Rwork0.219 102965 -
obs0.2198 104907 99.87 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 312.41 Å2 / Biso mean: 111.4559 Å2 / Biso min: 36.59 Å2
Refinement stepCycle: final / Resolution: 3.3→49.225 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28043 1033 117 0 29193
Biso mean--214.74 --
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 (%)
3.3-3.38250.42681360.3889728599
3.3825-3.47390.38161390.35987328100
3.4739-3.57610.34441380.3287347100
3.5761-3.69150.41481360.29817305100
3.6915-3.82340.31081390.27727353100
3.8234-3.97640.32311390.25797322100
3.9764-4.15730.25921390.21667348100
4.1573-4.37640.2341390.19737372100
4.3764-4.65040.22661390.18187363100
4.6504-5.00910.25361400.17447363100
5.0091-5.51260.23291380.19137354100
5.5126-6.30890.24541390.20617380100
6.3089-7.94310.24321400.19547386100
7.9431-49.2250.18761410.17167459100
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)
13.1871-0.33090.7747.2623-1.84523.92970.79380.46560.1208-0.1602-0.6999-0.90.27180.6888-0.05330.99510.06340.0221.08790.07981.19112.595411.551640.7216
22.6245-2.13271.94341.8196-1.30011.97470.0339-0.4120.4264-1.0155-0.25530.0143-0.2025-0.06220.22642.1652-0.2651-0.25162.1714-0.05222.539843.919412.205470.3156
31.52641.4110.36715.289-0.43851.9277-0.2749-0.24660.7337-0.2683-0.0296-0.5442-0.20240.29740.41781.3295-0.0252-0.1741.11820.0310.97614.42910.897838.6181
44.6481.85046.50890.72132.58479.1479-0.95070.13770.8890.52130.2726-0.15311.12310.32230.04852.3197-0.2142-0.10192.04450.22242.085244.0611.717673.8718
50.97750.644-0.09481.71160.91542.18780.18340.29680.60910.1525-0.11-0.90080.29691.2892-0.09990.9099-0.191-0.45191.35340.07691.795953.28319.75840.767
61.57330.1152-0.04080.8314-0.20541.24150.17980.14240.06510.0844-0.0441-0.1070.40690.0675-0.10430.86530.0231-0.27550.45040.01770.610410.8503-13.041534.1462
70.2294-0.2385-0.13560.5713-0.17670.4220.1442-0.1438-0.17730.390.076-0.08910.4419-0.0542-0.20471.219-0.1081-0.29730.58620.0760.68460.8124-14.686866.2039
80.29730.04550.1040.73760.01210.60690.0427-0.1013-0.0730.38390.09870.01850.28580.0345-0.11541.60450.0671-0.49330.64340.02050.91719.3515-28.311171.1167
93.50490.40171.60575.40032.51795.61460.1996-0.2135-0.18010.8666-0.06-0.14440.76190.2727-0.22732.0285-0.0021-0.38690.6272-0.07870.834327.819413.0863108.659
100.3681-0.4613-0.34391.2011-0.24232.26670.0056-0.13540.28550.70590.1056-0.4156-0.15310.2115-0.15271.32710.1063-0.63330.6521-0.12191.049628.336-12.012666.7397
111.78960.4251-0.08171.415-0.13571.1765-0.03940.17150.6022-0.31110.0555-0.0386-0.54870.1674-0.00310.8471-0.09640.00450.41220.14670.68040.585241.929941.0864
124.18112.8792.83952.42523.0775.0440.11340.25890.00870.05560.18350.0080.86141.0299-0.36151.1819-0.1754-0.06230.571-0.13620.708723.927732.277873.4206
130.1749-0.1610.62590.2621-0.15962.0634-0.01450.02780.08810.4421-0.0294-0.3014-0.40250.33080.0350.7603-0.12-0.03420.514-0.00910.689717.877435.256562.6879
140.8945-0.03930.17011.78680.55391.84630.1508-0.19750.10250.38250.0117-0.0072-0.2116-0.4334-0.15080.5203-0.00070.12730.51510.08430.401-7.981731.123765.2099
150.83760.1890.29190.99740.05461.83880.06240.168-0.0989-0.0005-0.1057-0.2287-0.1230.11120.03960.2576-0.00240.07610.47690.08680.4181-7.9718.825431.5988
161.3041-0.72290.2940.8066-0.07520.95440.09930.30410.35190.1562-0.2227-0.59580.10240.45570.0660.7537-0.0098-0.19980.59620.17170.914324.5427-4.659431.2502
176.5595-0.0516-0.78999.8345-3.11796.674-0.0392-0.3794-0.28940.20440.25010.36690.1574-0.0652-0.28410.6592-0.3332-0.01941.16810.21210.6304-44.1124-16.537630.0101
182.90660.97350.48731.80340.9840.5548-0.09820.0088-0.5330.0399-0.1818-0.09650.35590.24290.2780.6058-0.1085-0.1610.8476-0.00960.6475-26.8366-9.070521.843
191.42010.69120.31553.56311.41173.3997-0.13350.40790.0922-0.48290.03650.34780.0177-0.22340.07490.46440.0253-0.03960.77730.1220.4027-26.80957.534313.7348
201.5733-0.25980.02211.4321-0.91471.50460.2069-0.0076-0.49220.04240.01840.27390.457-0.4631-0.17791.0662-0.3174-0.3350.86380.12890.7848-34.654-18.985537.1344
213.2315-1.0405-0.14271.6873-0.80694.065-0.6633-0.91330.18940.72290.5256-0.1910.38230.5966-0.23062.67090.4361-1.15721.182-0.20321.533742.0224-22.64794.2389
220.90240.40190.00470.26320.04780.0263-0.0481-0.66710.01280.4455-0.4377-0.2368-0.30360.7839-0.15492.34740.7169-1.23332.2222-0.15681.34347.0066-17.7203105.0306
238.6339-0.7228-0.86066.41833.38732.2179-0.4145-0.3205-0.52821.39190.2931-0.50420.77481.32740.07821.70110.4012-0.64381.18-0.14471.500753.4209-33.100483.7598
241.3630.1529-0.66710.2541-0.18680.4240.0392-0.35360.231.13950.5222-1.2778-0.67681.0507-0.50782.21830.1221-0.96751.9145-0.19911.688754.6642-17.942488.7639
250.0081-0.0022-0.01780.05160.02750.0370.6230.1723-0.536-0.2392-0.05450.08150.79781.0251-0.61211.87160.3152-1.14813.286-0.77323.087763.3224-12.022288.7543
266.8185-2.8389-4.49264.29080.38043.66470.648-0.10660.1009-0.04330.7558-0.6928-0.13751.8364-0.81241.5269-0.0201-0.80331.8088-0.42851.882653.5746-12.202887.8064
273.3816-2.72860.66622.5043-0.03521.50990.94140.23790.2127-0.48460.0987-0.68680.92131.2571-0.89192.30840.2235-0.87262.1983-0.75792.45660.0592-9.118879.8022
280.6584-0.12990.24412.25651.14443.5747-0.0257-0.1111-0.02210.14950.0627-0.926-0.1670.8-0.08521.41130.3705-1.04740.8614-0.03671.334944.4152-21.811272.0356
293.51293.4640.38943.63360.34091.8996-0.321-0.05090.45321.14950.1924-0.551-0.11150.26360.03721.66090.4053-0.59440.73-0.11271.046735.4998-26.004567.498
300.0148-0.0469-0.01980.26270.0480.02810.07170.1615-0.6167-0.46720.2002-0.10790.33520.1357-0.20462.28510.6963-0.51681.72810.152.44551.1423-31.534639.5269
314.23864.8079-1.75375.5946-1.17246.003-0.34640.0973-1.64430.0910.0623-0.57941.22280.57140.19171.60340.3573-0.34990.7805-0.11510.946135.304-38.678643.727
323.05210.609-2.13513.06572.7439.8385-0.23880.409-0.3385-0.3341-0.53620.1797-0.10010.54540.51971.02330.2385-0.13480.71880.06010.75325.284-29.049930.5311
339.32513.0770.5249.18930.26486.88730.26261.3298-0.6759-0.1918-0.2685-0.32030.68810.37420.07761.50280.3677-0.38141.12630.04540.802719.7449-35.980519.44
346.224-5.6045.95755.1187-5.38245.70430.14710.2892-0.4228-0.2271-0.16430.93840.5883-0.85940.07051.38440.1065-0.28780.7849-0.03850.778318.7464-35.170427.2762
351.15740.29350.03771.16290.26883.57740.32710.2667-0.4667-0.61360.4422-0.87120.1770.7914-0.71271.38640.1915-0.09670.9336-0.18741.253835.8199-34.305237.258
366.01234.09871.05216.1846-2.20322.6999-0.24711.1582-1.0947-0.4317-0.2174-0.02361.23410.51970.13571.19980.2999-0.13080.8245-0.12220.970427.3705-40.469938.0143
372.9422-1.8236-2.51643.59840.70656.35440.2629-0.1189-0.55090.83270.38330.27210.9629-0.1477-0.2471.657-0.4298-0.33991.00950.54981.8665-26.3999-49.273164.6391
382.952-1.12390.45298.7505-2.37463.9033-0.4153-0.1581-0.14310.5388-0.18220.1247-0.3252-0.2320.55571.4595-0.5418-0.0461.1610.18781.1342-24.3201-34.26865.076
394.31670.51490.7366.8301-0.36072.68940.2659-0.802-1.13311.532-0.20170.01230.3415-0.1272-0.09911.4749-0.5789-0.2110.75310.28391.448-24.7597-47.314768.9062
404.0193-0.2448-1.48193.0464-0.83764.2042-0.7485-0.1099-0.4909-0.01540.37990.775-0.2007-0.35490.52861.386-0.2226-0.42350.8140.28831.2839-31.3397-42.697161.881
412.29033.8622-4.41119.6528-7.72888.6358-0.12320.2752-0.2564-1.03660.20990.43790.6417-0.0301-0.04021.7556-0.1885-0.22330.9764-0.03911.3176-20.7824-48.584341.2734
424.07662.90350.15814.267-0.4240.7017-0.61920.9717-0.0904-1.16280.56710.47770.2984-0.36250.17171.6889-1.0441-0.21141.09960.09871.6385-31.2914-51.509242.1532
434.8833-0.20490.17053.36640.62624.686-0.3997-0.2806-0.8889-0.49970.0750.00130.30030.12490.14661.5674-0.4269-0.34410.85640.45611.6995-18.0174-46.828658.606
443.68770.6405-2.12065.481-2.68622.2177-0.655-0.5893-0.60430.67390.17680.31420.79810.20290.33191.8887-0.3981-0.24021.14480.54471.0309-13.4019-49.761866.8628
455.00592.0873-4.57028.0612-2.11054.18040.3258-1.0846-1.35991.2438-0.4834-1.03640.32060.55920.54221.5812-0.6978-0.32941.09950.3361.0372-17.5381-44.285264.3919
463.2725-2.66984.05716.2486-3.24086.9971-0.4068-0.5637-2.01430.00550.00950.95811.7293-0.04170.26722.2211-0.0081-0.2141.18380.50771.3624-14.6358-55.791260.1265
475.8546-3.8513-1.53089.31482.0353.2274-0.5843-0.4857-1.7768-0.0135-0.38060.06480.5967-0.96250.50381.5682-0.4312-0.26920.98650.36361.2742-29.4596-48.672256.3812
480.22070.0328-0.48764.0594-1.19591.55060.22490.0668-0.20640.4362-0.0269-0.5637-0.03230.7604-0.04911.8569-0.0457-0.37650.8344-0.18511.00728.612436.6431104.1586
492.6607-1.415-1.85453.282.12558.78090.3195-0.4089-0.4413-0.0084-0.18840.119-0.83311.0497-0.12871.0306-0.1581-0.07780.7977-0.02360.6884-7.229627.107192.9094
502.7436-4.3202-1.55117.79190.8787.10470.5548-0.2667-0.53420.3507-0.0789-0.91591.09170.4992-0.55141.2411-0.0347-0.25090.87980.05080.90.536620.950395.5674
514.10873.60440.33225.6099-1.48161.55780.0760.45870.3733-0.1246-0.34940.4464-0.458-0.1253-0.0720.51790.18460.15850.66940.0140.3499-26.54776.40929.6159
526.22270.6223-2.51036.11882.0334.71820.15930.62430.87560.0364-0.42430.7146-1.0915-0.8165-0.03030.48290.01830.15320.65880.12290.8509-36.946418.020935.0728
532.10211.2287-0.26590.7972-0.00550.33810.17580.04570.58570.1712-0.16520.41820.0298-0.1888-0.0372-0.26680.0620.27471.09950.13440.4377-32.07048.737438.0076
545.3919-1.85644.28024.407-3.50844.4974-0.1263-0.23860.9254-0.54510.2275-0.3941-0.21730.0478-0.04690.49680.01880.11350.5905-0.02140.8543-19.120726.76627.4572
550.32960.22990.21760.64670.47770.36490.39750.2303-0.41980.71630.281-0.68650.131-0.9056-0.50421.06140.0555-0.22910.94880.13060.7672-9.5082-8.28920.0642
565.16312.8429-0.73184.4118-5.20188.19530.29480.7272-0.7948-0.6243-0.0425-1.53510.297-0.0071-0.01840.8724-0.0374-0.0150.879-0.07060.8511-12.8929-25.058215.5023
573.37314.582-0.86257.828-4.13935.72880.0876-0.4182-0.79640.7161-0.6203-0.38710.69220.65990.42391.89780.044-0.13851.31550.03191.2549-11.2001-43.401928.1031
581.97471.9643-1.56476.5976-1.13344.24960.52340.01980.11530.09980.26880.5781.1836-0.4283-0.53541.1107-0.1373-0.46730.7113-0.02920.7489-21.5399-27.807925.9952
594.0063.8758-1.15769.1944-1.06723.79020.51590.0307-0.6803-0.2365-0.19710.29520.1138-1.0523-0.33481.1074-0.11-0.40030.84220.05980.7389-17.5255-29.163529.6076
602.80461.0201-0.85043.19971.54221.47110.53750.4016-1.20150.1712-0.0689-0.35331.1705-0.6257-0.28091.5065-0.2248-0.50180.8828-0.10410.9972-18.4811-37.388925.7732
611.1366-0.27510.53681.2277-0.08451.28830.45190.3716-0.6160.2583-0.06020.49070.6144-0.2210.83790.4941-0.5036-0.14411.0126-0.00591.2346-39.0526-23.912522.0091
627.29242.70270.17284.8157-3.4363.23810.6368-0.80760.9380.51020.24930.1595-1.1307-0.1324-0.68562.65880.1412-0.39881.0781-0.1111.5113-7.680132.902812.7037
630.5916-0.8682-0.61271.37080.34844.1514-0.30960.22140.1242-1.0798-0.2857-1.1941-0.99052.41450.45732.2645-0.42440.21332.44680.95422.0095-0.436834.14716.0496
645.331-0.15921.05490.1064-0.34731.1917-0.85620.52271.2697-0.96160.17571.1449-2.21850.03420.44081.8306-0.1582-0.60761.4290.46441.2283-3.664336.846914.2081
652.64722.2712-2.71932.1455-2.41522.87830.03880.5671-0.006-0.4984-0.2048-0.3234-0.25180.2410.33420.99110.0707-0.21591.14540.28670.7506-11.710911.411910.3129
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'R' and (resid 1 through 10 )R1 - 10
2X-RAY DIFFRACTION2chain 'T' and (resid 3 through 17 )T3 - 17
3X-RAY DIFFRACTION3chain 'T' and (resid 18 through 28 )T18 - 28
4X-RAY DIFFRACTION4chain 'N' and (resid 4 through 17 )N4 - 17
5X-RAY DIFFRACTION5chain 'A' and (resid 3 through 281 )A3 - 281
6X-RAY DIFFRACTION6chain 'A' and (resid 282 through 590 )A282 - 590
7X-RAY DIFFRACTION7chain 'A' and (resid 591 through 922 )A591 - 922
8X-RAY DIFFRACTION8chain 'A' and (resid 923 through 1164 )A923 - 1164
9X-RAY DIFFRACTION9chain 'A' and (resid 1165 through 1269 )A0
10X-RAY DIFFRACTION10chain 'A' and (resid 1270 through 1446 )A0
11X-RAY DIFFRACTION11chain 'B' and (resid 20 through 212 )B20 - 212
12X-RAY DIFFRACTION12chain 'B' and (resid 213 through 293 )B213 - 293
13X-RAY DIFFRACTION13chain 'B' and (resid 294 through 528 )B294 - 528
14X-RAY DIFFRACTION14chain 'B' and (resid 529 through 796 )B529 - 796
15X-RAY DIFFRACTION15chain 'B' and (resid 797 through 1072 )B797 - 1072
16X-RAY DIFFRACTION16chain 'B' and (resid 1073 through 1221 )B0
17X-RAY DIFFRACTION17chain 'C' and (resid 2 through 26 )C2 - 26
18X-RAY DIFFRACTION18chain 'C' and (resid 27 through 51 )C27 - 51
19X-RAY DIFFRACTION19chain 'C' and (resid 52 through 175 )C52 - 175
20X-RAY DIFFRACTION20chain 'C' and (resid 176 through 268 )C176 - 268
21X-RAY DIFFRACTION21chain 'E' and (resid 4 through 38 )E4 - 38
22X-RAY DIFFRACTION22chain 'E' and (resid 39 through 59 )E39 - 59
23X-RAY DIFFRACTION23chain 'E' and (resid 60 through 71 )E60 - 71
24X-RAY DIFFRACTION24chain 'E' and (resid 72 through 89 )E72 - 89
25X-RAY DIFFRACTION25chain 'E' and (resid 90 through 103 )E90 - 103
26X-RAY DIFFRACTION26chain 'E' and (resid 104 through 117 )E104 - 117
27X-RAY DIFFRACTION27chain 'E' and (resid 118 through 130 )E118 - 130
28X-RAY DIFFRACTION28chain 'E' and (resid 131 through 194 )E131 - 194
29X-RAY DIFFRACTION29chain 'E' and (resid 195 through 215 )E195 - 215
30X-RAY DIFFRACTION30chain 'F' and (resid 69 through 73 )F69 - 73
31X-RAY DIFFRACTION31chain 'F' and (resid 74 through 86 )F74 - 86
32X-RAY DIFFRACTION32chain 'F' and (resid 87 through 102 )F87 - 102
33X-RAY DIFFRACTION33chain 'F' and (resid 103 through 116 )F103 - 116
34X-RAY DIFFRACTION34chain 'F' and (resid 117 through 126 )F117 - 126
35X-RAY DIFFRACTION35chain 'F' and (resid 127 through 147 )F127 - 147
36X-RAY DIFFRACTION36chain 'F' and (resid 148 through 154 )F148 - 154
37X-RAY DIFFRACTION37chain 'H' and (resid 2 through 16 )H2 - 16
38X-RAY DIFFRACTION38chain 'H' and (resid 17 through 30 )H17 - 30
39X-RAY DIFFRACTION39chain 'H' and (resid 31 through 43 )H31 - 43
40X-RAY DIFFRACTION40chain 'H' and (resid 44 through 60 )H44 - 60
41X-RAY DIFFRACTION41chain 'H' and (resid 61 through 82 )H61 - 82
42X-RAY DIFFRACTION42chain 'H' and (resid 83 through 92 )H83 - 92
43X-RAY DIFFRACTION43chain 'H' and (resid 93 through 106 )H93 - 106
44X-RAY DIFFRACTION44chain 'H' and (resid 107 through 118 )H107 - 118
45X-RAY DIFFRACTION45chain 'H' and (resid 119 through 127 )H119 - 127
46X-RAY DIFFRACTION46chain 'H' and (resid 128 through 140 )H128 - 140
47X-RAY DIFFRACTION47chain 'H' and (resid 141 through 146 )H141 - 146
48X-RAY DIFFRACTION48chain 'I' and (resid 2 through 52 )I2 - 52
49X-RAY DIFFRACTION49chain 'I' and (resid 53 through 87 )I53 - 87
50X-RAY DIFFRACTION50chain 'I' and (resid 88 through 119 )I88 - 119
51X-RAY DIFFRACTION51chain 'J' and (resid 1 through 14 )J1 - 14
52X-RAY DIFFRACTION52chain 'J' and (resid 15 through 31 )J15 - 31
53X-RAY DIFFRACTION53chain 'J' and (resid 32 through 55 )J32 - 55
54X-RAY DIFFRACTION54chain 'J' and (resid 56 through 65 )J56 - 65
55X-RAY DIFFRACTION55chain 'K' and (resid 1 through 9 )K1 - 9
56X-RAY DIFFRACTION56chain 'K' and (resid 10 through 23 )K10 - 23
57X-RAY DIFFRACTION57chain 'K' and (resid 24 through 29 )K24 - 29
58X-RAY DIFFRACTION58chain 'K' and (resid 30 through 52 )K30 - 52
59X-RAY DIFFRACTION59chain 'K' and (resid 53 through 69 )K53 - 69
60X-RAY DIFFRACTION60chain 'K' and (resid 70 through 82 )K70 - 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 46 )L37 - 46
64X-RAY DIFFRACTION64chain 'L' and (resid 47 through 58 )L47 - 58
65X-RAY DIFFRACTION65chain 'L' and (resid 59 through 70 )L59 - 70

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