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- PDB-6upz: RNA polymerase II elongation complex with 5-guanidinohydantoin le... -

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Basic information

Entry
Database: PDB / ID: 6upz
TitleRNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 3
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 strand DNA
  • RNA
  • Template strand DNA
KeywordsTRANSCRIPTION/RNA/DNA / RNA polymerase II / 5-guanidinohydantoin / elongation complex / DNA lesion / TRANSCRIPTION / TRANSCRIPTION-RNA-DNA 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
Dna-directed Rna Polymerases I, Ii, And Iii 27 Kd Polypeptide; Chain: A; domain 1 / RNA polymerase, Rpb5, N-terminal domain / RNA polymerase ii, chain L / RPB5-like RNA polymerase subunit / N-terminal domain of TfIIb - #10 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, insert domain / RNA polymerase, RBP11-like subunit / RNA Polymerase Alpha Subunit; Chain A, domain 2 ...Dna-directed Rna Polymerases I, Ii, And Iii 27 Kd Polypeptide; Chain: A; domain 1 / RNA polymerase, Rpb5, N-terminal domain / RNA polymerase ii, chain L / RPB5-like RNA polymerase subunit / N-terminal domain of TfIIb - #10 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, insert domain / RNA polymerase, RBP11-like subunit / RNA Polymerase Alpha Subunit; Chain A, domain 2 / N-terminal domain of TfIIb / Rubrerythrin, domain 2 / 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 / Gyrase A; domain 2 / 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 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 / 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 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. / 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 / Zinc finger, TFIIS-type / Transcription factor S-II (TFIIS) / Zinc finger TFIIS-type profile. / C2C2 Zinc finger / 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. / Homeodomain-like / Single Sheet / Nucleic acid-binding proteins / Beta Complex / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb1, domain 3 superfamily / RNA polymerase Rpb1, clamp domain superfamily / RPB6/omega subunit-like superfamily / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 4 / RNA polymerase, N-terminal / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase I subunit A N-terminus / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 5 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / DNA-directed RNA polymerase, insert domain
Similarity search - Domain/homology
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 ...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: 3.1 Å
AuthorsOh, J. / 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: 2020
Title: RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Authors: Oh, J. / Fleming, A.M. / Xu, J. / Chong, J. / Burrows, C.J. / Wang, D.
History
DepositionOct 18, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 10, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_conn_type
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id

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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)488,02523
Polymers487,29913
Non-polymers72610
Water0
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)167.664, 222.901, 193.486
Angle α, β, γ (deg.)90.000, 100.850, 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: 3264.036 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: 8745.599 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: DNA chain Non-template strand DNA


Mass: 5663.694 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-ZN / ZINC ION


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


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#16: Chemical ChemComp-PPV / PYROPHOSPHATE / Pyrophosphate


Mass: 177.975 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: H4O7P2 / Feature type: SUBJECT OF INVESTIGATION

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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: 3.64 Å3/Da / Density % sol: 66.24 % / Mosaicity: 0.13 °
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: 5.0.3 / Wavelength: 0.9765 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 20, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9765 Å / Relative weight: 1
ReflectionResolution: 3.02→49.04 Å / Num. obs: 136357 / % possible obs: 100 % / Redundancy: 7.7 % / Biso Wilson estimate: 64.32 Å2 / CC1/2: 0.986 / Rmerge(I) obs: 0.356 / Rpim(I) all: 0.137 / Rrim(I) all: 0.381 / Net I/σ(I): 7.7 / Num. measured all: 1050776 / Scaling rejects: 2
Reflection shellResolution: 3.02→3.07 Å / Redundancy: 7.7 % / Rmerge(I) obs: 3.318 / Num. measured all: 51823 / Num. unique obs: 6691 / CC1/2: 0.318 / Rpim(I) all: 1.272 / Rrim(I) all: 3.555 / Net I/σ(I) obs: 0.8 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX1.13_2998refinement
Aimless0.7.3data scaling
PDB_EXTRACT3.25data extraction
XDSdata reduction
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6BLO

6blo


Resolution: 3.1→49.039 Å / SU ML: 0.43 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 30.33 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2692 1849 1.47 %
Rwork0.2242 124145 -
obs0.2249 125994 99.95 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 275.04 Å2 / Biso mean: 85.9092 Å2 / Biso min: 21.28 Å2
Refinement stepCycle: final / Resolution: 3.1→49.039 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27999 1058 18 0 29075
Biso mean--132.24 --
Num. residues----3594
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / % reflection obs: 100 %

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork
3.1-3.18380.38651410.35519448
3.1838-3.27750.3891420.33599533
3.2775-3.38320.36971410.30799495
3.3832-3.50410.32791430.28289549
3.5041-3.64440.31891420.26049568
3.6444-3.81020.28781410.23789499
3.8102-4.0110.26841420.21979545
4.011-4.26210.29491430.19519543
4.2621-4.5910.19571420.17429558
4.591-5.05260.19741420.17349541
5.0526-5.78270.26451430.20569599
5.7827-7.28180.28821420.22649585
7.2818-49.0390.21111450.19129682
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)
11.94240.08510.40122.90850.28752.0756-0.21270.0821-0.22560.3608-0.2283-0.4591-0.03140.36040.0051.0132-0.0641-0.21151.04830.01361.224312.642511.585140.673
20.57370.41860.77020.31720.56831.05520.2783-0.03620.4442-0.04040.3149-0.5706-0.26460.53760.01162.3759-0.1963-0.26741.88290.03742.311345.986912.153773.5744
31.07030.77730.25891.20990.69050.4965-0.25690.11380.02780.347-0.3708-0.2128-0.20540.1692-0.0941.1681-0.2632-0.041.1212-0.10810.923614.820710.842138.873
40.98830.15061.1280.02560.09731.283-0.4432-0.4716-0.01420.74570.0708-0.7832-0.04890.4370.05751.7203-0.2866-0.44022.3310.03352.184945.361910.383874.7572
50.8076-0.05760.14690.5371-0.1561.05910.01230.17390.32070.0587-0.1221-0.4956-0.19220.6179-0.13710.5985-0.1121-0.19710.66790.16020.979641.68165.437336.056
60.3566-0.15190.0320.3921-0.13760.64170.1556-0.1383-0.18910.28670.0648-0.0660.4205-0.066-0.12980.8467-0.0875-0.22480.37160.0780.49771.2599-18.957458.5743
70.20520.14650.20460.93330.0390.31740.0328-0.07970.02860.5250.0633-0.01640.28440.0521-0.08391.33960.0553-0.40610.5213-0.00520.733520.4303-16.11681.2084
80.3628-0.06590.12881.15370.11011.086-0.031-0.14290.1510.56570.1603-0.30080.13830.2443-0.16320.98170.0912-0.46230.4849-0.0740.758627.9358-10.100269.1829
91.26350.2762-0.17971.3391-0.09171.0641-0.2534-0.21910.5258-0.20780.0518-0.1762-0.64160.2186-0.14310.776-0.1771-0.06130.35520.09520.59830.253343.576246.3132
100.2542-0.0179-0.09821.3491-0.34280.90950.1310.11290.29770.434-0.0424-0.1185-0.07110.2140.05310.689-0.1314-0.01030.36160.06880.53536.132837.022345.8842
110.38790.10630.4580.08540.46491.13760.02160.03640.13710.4277-0.0019-0.3214-0.26760.4043-0.05640.6997-0.1023-0.04070.5121-0.00660.648220.528536.420365.7018
121.15040.07780.08531.46020.1651.54620.039-0.08770.18060.51760.0427-0.1122-0.2547-0.1366-0.04960.558-0.00720.06710.40940.04440.3232-7.870734.155669.5555
130.14920.08790.11750.7694-0.00041.53780.08260.0154-0.04210.0094-0.0354-0.0653-0.01030.1145-0.09030.2992-0.0361-0.00630.37140.06740.3449-7.99449.78633.2854
140.9865-0.25090.38050.6445-0.26540.71540.04640.36410.10650.0555-0.1549-0.37560.06880.2908-0.12670.4781-0.0499-0.06430.42750.11360.573723.9513-4.766831.6544
151.70251.0089-0.6941.5673-1.00111.9838-0.0898-0.0976-0.361-0.3017-0.01330.1290.229-0.5061-0.13790.5623-0.2394-0.13740.59990.07570.4537-35.7549-12.718625.8826
160.54-0.42510.02440.49830.51671.43010.0745-0.0442-0.1529-0.05140.08570.00110.2654-0.316-0.09470.5333-0.0741-0.05460.54190.05770.3055-23.97644.117810.7749
170.692-0.04650.00691.39220.07391.2372-0.05010.34370.1041-0.51630.01730.4685-0.1406-0.4021-0.07830.52820.0457-0.12440.5840.03670.3789-29.139710.269615.8126
180.34360.3669-0.41670.90590.1541.52050.448-0.3372-0.53290.44390.186-0.06440.2755-0.5747-0.11330.8772-0.3376-0.19510.76260.1730.5697-35.9387-14.85449.7763
190.7297-0.74790.44882.5986-1.6192.63910.1774-0.2078-0.43350.18710.28630.34950.6317-0.3922-0.16390.7059-0.3141-0.12460.82760.11760.5892-39.2845-19.938240.675
201.4472-0.11630.41631.8189-0.3271.00920.23570.5052-0.1711-0.51820.10990.07480.7919-0.2139-0.09730.9593-0.1677-0.33520.6446-0.07570.5312-28.7495-23.102615.4926
211.02190.05260.90131.0176-0.51611.6666-0.1195-0.30180.02020.61980.1213-0.22-0.04110.04410.14561.67710.3184-0.8190.9238-0.14121.045739.5603-19.21695.3102
220.8832-0.03880.32250.9268-0.94911.0651-0.4928-0.61020.17230.51940.2117-0.14420.02510.0945-0.14632.0580.5425-0.70210.99370.04251.097541.6833-28.409298.4034
230.0056-0.00060.02780.0002-0.00970.15890.1184-0.09910.02150.549-0.1117-0.4190.18680.2642-0.11792.28090.3389-0.88721.6923-0.15141.202147.4849-15.4286106.7535
240.74970.01080.96850.78590.62573.89-0.096-0.1303-0.09490.2223-0.0511-0.37250.45710.429-0.75471.47140.5681-0.77790.8982-0.1611.100551.9816-32.882285.527
250.6520.010.67520.0152-0.11911.7814-0.1428-0.01230.27860.63490.3169-0.6154-0.15520.3247-0.12351.62810.4589-0.93351.2646-0.54851.492153.5169-18.558789.5279
260.0636-0.2027-0.04240.76590.06890.0652-0.0121-0.3730.20410.76110.016-0.13960.04610.4647-0.06441.3295-0.0392-0.89481.7835-0.6812.465962.3774-13.032290.3423
273.1502-0.7796-1.73550.9124-0.20093.00460.05250.08020.61680.49430.7212-1.0183-0.33560.98950.57141.15050.2283-0.83991.1053-0.41871.57151.6847-12.758386.0822
280.67120.5350.18790.49320.22211.6719-0.235-0.14970.01410.53590.0771-0.9810.33880.3238-0.34971.10080.229-0.60570.6104-0.03790.990840.8259-24.49968.8627
290.34410.1851-0.12680.2256-0.0910.05040.16010.2227-0.2972-0.19630.1691-0.97930.35910.73-0.23521.66280.3067-0.36171.5205-0.17971.518450.6607-30.491740.4514
301.6554-0.55210.69641.9345-1.01232.34740.10760.3514-0.12740.2820.1161-0.14120.78150.4206-0.20860.98610.2261-0.16630.4367-0.00430.526629.4063-33.313536.4498
313.2382-0.1990.03272.89140.13041.77580.24040.141-0.573-0.0967-0.0188-0.11750.68870.2286-0.15781.03230.3804-0.20430.8052-0.07520.667719.6413-36.01919.4893
320.5527-1.17291.80424.0524-4.08336.00350.07280.1045-0.5722-0.0553-0.1950.4370.7534-0.251-0.20541.24170.0865-0.18350.5265-0.03660.619618.571-35.095227.3809
337.16954.9618-1.70963.6209-1.29150.5972-0.06770.4917-0.9653-0.16070.0951-0.52460.77940.325-0.22981.4110.1809-0.19780.5495-0.15820.59627.0756-40.01828.5616
340.24910.2558-0.08350.3905-0.03690.08810.24520.1653-0.05890.1625-0.0103-0.6390.35330.807-0.23350.8670.05080.05640.6504-0.05270.781539.2465-29.874141.6539
356.75231.87090.24742.298-0.37761.71840.26110.1277-0.3715-0.19450.0578-0.35240.49070.7212-0.21270.85710.2131-0.26630.589-0.09160.871932.0048-38.387338.8733
361.1958-0.13540.08922.07870.0771.2267-0.077-0.4373-0.42190.36790.51570.17130.1853-0.0701-0.08951.0869-0.3963-0.11930.63070.31991.0033-27.0714-43.166164.959
370.41321.1781-1.36614.9409-4.19374.6311-0.0217-0.0038-0.4891-0.1809-0.21460.06340.7804-0.0409-0.13391.2715-0.1216-0.2110.64030.12520.9323-21.0966-48.275541.3051
380.93050.5842-0.67842.1802-0.11810.7693-0.0514-0.0754-0.48820.15850.0083-0.04570.6957-0.1545-0.29431.4139-0.712-0.30560.5050.51270.9224-19.8287-47.831258.5881
392.0004-0.6655-0.1862.3402-0.55723.63820.0359-0.4102-0.7471-0.0098-0.33160.14690.74910.2151-0.15011.402-0.2152-0.32170.74460.37151.1313-19.7605-53.15659.1325
400.0459-0.0846-0.12991.0397-0.20850.64730.33270.0168-0.06390.2543-0.0674-0.35960.10740.3857-0.02591.4995-0.0789-0.27420.6675-0.18130.911228.396636.3603104.1176
411.0991-0.2767-0.12891.39990.5222.77260.1568-0.5529-0.13650.2605-0.26720.1523-0.1021-0.2836-0.04360.8716-0.0061-0.04960.61330.00580.4681-7.948827.615293.0443
423.3963-1.6475-0.37774.06430.01081.95730.0375-0.3802-0.32670.59560.0259-0.16440.31990.1676-0.11160.87470.0427-0.12890.64960.04450.56840.119720.979795.4315
431.06580.2717-0.23040.5427-0.01272.110.25890.31090.0721-0.0760.04290.3877-0.3758-0.5498-0.0813-0.0575-0.0440.02210.61060.25030.3828-30.82411.734430.9649
441.4316-0.1604-0.540.54140.18810.3788-0.15520.0351-0.05770.1244-0.16240.1987-0.0258-0.1324-0.7601-0.048-0.38340.27340.72820.29670.4329-38.869312.320238.7067
451.0338-0.11210.08840.53790.01571.06010.21530.31590.1975-0.01440.00840.17150.0675-0.29840.0756-0.0417-0.17310.15890.4861-0.03390.3414-27.56189.239937.3299
463.4381-0.54461.35221.42590.4050.8177-0.01350.24420.2271-0.13740.1203-0.1079-0.1287-0.0585-0.21850.0954-0.02880.41690.3571-0.00540.3192-19.137926.864627.3557
470.0164-0.0199-0.0050.02450.01780.03210.18910.2678-0.505-0.0457-0.2755-0.36260.1782-0.392-0.16860.34260.11610.01760.50780.03480.3777-9.7269-8.447120.1149
482.2632-1.26910.80548.7547-1.81922.69060.68420.3328-0.595-0.05410.1321-0.42251.07820.30950.01840.5684-0.0636-0.18740.4706-0.14320.4254-13.8866-29.250420.1854
490.9532-0.21170.08870.7456-0.24080.5030.45060.3508-0.6810.1451-0.01630.27060.7894-0.35210.02620.7747-0.402-0.40780.4983-0.01090.6555-28.2329-28.223625.6099
500.91360.1170.52271.0587-1.05061.49680.1009-0.40540.60070.35780.0189-0.0009-0.529-0.1479-0.19191.51610.2196-0.28520.9530.05551.0377-7.469932.780512.492
510.92760.84621.21872.27150.32152.58910.0940.57190.055-0.50370.1286-0.4444-0.37330.3524-0.07221.6724-0.11520.08231.30730.36561.4723-1.999436.70877.9992
520.72560.7455-0.26412.0224-1.46761.5774-0.06910.18410.2516-0.29750.078-0.0788-0.44090.3714-0.12690.7761-0.1114-0.28690.73770.29810.161-8.348219.514412.3046
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 2 through 16 )N2 - 16
5X-RAY DIFFRACTION5chain 'A' and (resid 3 through 429 )A3 - 429
6X-RAY DIFFRACTION6chain 'A' and (resid 430 through 946 )A430 - 946
7X-RAY DIFFRACTION7chain 'A' and (resid 947 through 1257 )A947 - 1257
8X-RAY DIFFRACTION8chain 'A' and (resid 1258 through 1446 )A0
9X-RAY DIFFRACTION9chain 'B' and (resid 20 through 113 )B20 - 113
10X-RAY DIFFRACTION10chain 'B' and (resid 114 through 251 )B114 - 251
11X-RAY DIFFRACTION11chain 'B' and (resid 252 through 515 )B252 - 515
12X-RAY DIFFRACTION12chain 'B' and (resid 516 through 748 )B516 - 748
13X-RAY DIFFRACTION13chain 'B' and (resid 749 through 1071 )B749 - 1071
14X-RAY DIFFRACTION14chain 'B' and (resid 1072 through 1221 )B0
15X-RAY DIFFRACTION15chain 'C' and (resid 2 through 51 )C2 - 51
16X-RAY DIFFRACTION16chain 'C' and (resid 52 through 104 )C52 - 104
17X-RAY DIFFRACTION17chain 'C' and (resid 105 through 175 )C105 - 175
18X-RAY DIFFRACTION18chain 'C' and (resid 176 through 209 )C176 - 209
19X-RAY DIFFRACTION19chain 'C' and (resid 210 through 239 )C210 - 239
20X-RAY DIFFRACTION20chain 'C' and (resid 240 through 268 )C240 - 268
21X-RAY DIFFRACTION21chain 'E' and (resid 4 through 26 )E4 - 26
22X-RAY DIFFRACTION22chain 'E' and (resid 27 through 45 )E27 - 45
23X-RAY DIFFRACTION23chain 'E' and (resid 46 through 58 )E46 - 58
24X-RAY DIFFRACTION24chain 'E' and (resid 59 through 71 )E59 - 71
25X-RAY DIFFRACTION25chain 'E' and (resid 72 through 89 )E72 - 89
26X-RAY DIFFRACTION26chain 'E' and (resid 90 through 103 )E90 - 103
27X-RAY DIFFRACTION27chain 'E' and (resid 104 through 143 )E104 - 143
28X-RAY DIFFRACTION28chain 'E' and (resid 144 through 215 )E144 - 215
29X-RAY DIFFRACTION29chain 'F' and (resid 69 through 73 )F69 - 73
30X-RAY DIFFRACTION30chain 'F' and (resid 74 through 102 )F74 - 102
31X-RAY DIFFRACTION31chain 'F' and (resid 103 through 116 )F103 - 116
32X-RAY DIFFRACTION32chain 'F' and (resid 117 through 126 )F117 - 126
33X-RAY DIFFRACTION33chain 'F' and (resid 127 through 132 )F127 - 132
34X-RAY DIFFRACTION34chain 'F' and (resid 133 through 142 )F133 - 142
35X-RAY DIFFRACTION35chain 'F' and (resid 143 through 154 )F143 - 154
36X-RAY DIFFRACTION36chain 'H' and (resid 2 through 60 )H2 - 60
37X-RAY DIFFRACTION37chain 'H' and (resid 61 through 82 )H61 - 82
38X-RAY DIFFRACTION38chain 'H' and (resid 83 through 127 )H83 - 127
39X-RAY DIFFRACTION39chain 'H' and (resid 128 through 146 )H128 - 146
40X-RAY DIFFRACTION40chain 'I' and (resid 2 through 52 )I2 - 52
41X-RAY DIFFRACTION41chain 'I' and (resid 53 through 86 )I53 - 86
42X-RAY DIFFRACTION42chain 'I' and (resid 87 through 119 )I87 - 119
43X-RAY DIFFRACTION43chain 'J' and (resid 1 through 26 )J1 - 26
44X-RAY DIFFRACTION44chain 'J' and (resid 27 through 43 )J27 - 43
45X-RAY DIFFRACTION45chain 'J' and (resid 44 through 55 )J44 - 55
46X-RAY DIFFRACTION46chain 'J' and (resid 56 through 65 )J56 - 65
47X-RAY DIFFRACTION47chain 'K' and (resid 1 through 9 )K1 - 9
48X-RAY DIFFRACTION48chain 'K' and (resid 10 through 39 )K10 - 39
49X-RAY DIFFRACTION49chain 'K' and (resid 40 through 114 )K40 - 114
50X-RAY DIFFRACTION50chain 'L' and (resid 28 through 36 )L28 - 36
51X-RAY DIFFRACTION51chain 'L' and (resid 37 through 51 )L37 - 51
52X-RAY DIFFRACTION52chain 'L' and (resid 52 through 70 )L52 - 70

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