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- PDB-6uq0: RNA polymerase II elongation complex with 5-guanidinohydantoin le... -

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Basic information

Entry
Database: PDB / ID: 6uq0
TitleRNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 4
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
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 / RNA polymerase II transcribes snRNA genes / TP53 Regulates Transcription of DNA Repair Genes / RNA Polymerase II Promoter Escape / RNA Polymerase II Transcription Pre-Initiation And Promoter Opening ...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 / 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 II transcription / RNA-templated transcription / termination of RNA polymerase III transcription / RNA Polymerase II Pre-transcription Events / Formation of TC-NER Pre-Incision Complex / termination of RNA polymerase I transcription / transcription initiation at RNA polymerase III promoter / RNA Polymerase I Promoter Escape / nucleolar large rRNA transcription by RNA polymerase I / Gap-filling DNA repair synthesis and ligation in TC-NER / maintenance of transcriptional fidelity during transcription elongation by RNA polymerase II / transcription initiation at RNA polymerase I promoter / transcription by RNA polymerase I / Estrogen-dependent gene expression / transcription by RNA polymerase III / Dual incision in TC-NER / transcription elongation by RNA polymerase I / RNA polymerase I complex / RNA polymerase III complex / transcription-coupled nucleotide-excision repair / RNA polymerase III activity / RNA polymerase II, core complex / tRNA transcription by RNA polymerase III / RNA polymerase I activity / translesion synthesis / RNA polymerase II activity / transcription elongation by RNA polymerase II / transcription initiation at RNA polymerase II promoter / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / cytoplasmic stress granule / DNA-directed RNA polymerase / peroxisome / ribosome biogenesis / transcription by RNA polymerase II / nucleic acid binding / protein dimerization activity / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / nucleus / metal ion binding / 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, 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, 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 / DNA-directed RNA polymerase subunit Rpo11 / RNA polymerases L / 13 to 16 Kd subunits signature. / Homeodomain-like / 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. / 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 Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / 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, beta subunit, protrusion / RNA polymerase beta subunit / 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 / DNA-directed RNA polymerase, insert domain
Similarity search - Domain/homology
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 / 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: 3.56 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)487,84722
Polymers487,29913
Non-polymers5489
Water00
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)167.897, 223.273, 193.139
Angle α, β, γ (deg.)90.000, 100.940, 90.000
Int Tables number5
Space group name H-MC121
Components on special symmetry positions
IDModelComponents
11I-82-

GLU

21L-28-

LYS

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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 / 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 , 2 types, 9 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

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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: 66.27 % / Mosaicity: 0.19 °
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: 5.0.2 / Wavelength: 0.97665 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Mar 23, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97665 Å / Relative weight: 1
ReflectionResolution: 3.56→49.7 Å / Num. obs: 83440 / % possible obs: 100 % / Redundancy: 7 % / Biso Wilson estimate: 75.6 Å2 / CC1/2: 0.933 / Rmerge(I) obs: 0.684 / Rpim(I) all: 0.279 / Rrim(I) all: 0.74 / Net I/σ(I): 3.7 / Num. measured all: 580773 / Scaling rejects: 12
Reflection shellResolution: 3.56→3.63 Å / Redundancy: 7.2 % / Rmerge(I) obs: 2.794 / Num. measured all: 32694 / Num. unique obs: 4552 / CC1/2: 0.303 / Rpim(I) all: 1.12 / Rrim(I) all: 3.012 / Net I/σ(I) obs: 0.8 / % possible all: 100

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Processing

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

6blo


Resolution: 3.56→49.697 Å / SU ML: 0.52 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 29.47
RfactorNum. reflection% reflection
Rfree0.2783 1996 2.39 %
Rwork0.2355 --
obs0.2366 83355 99.88 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 275.83 Å2 / Biso mean: 91.5959 Å2 / Biso min: 15.56 Å2
Refinement stepCycle: final / Resolution: 3.56→49.697 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28004 1038 9 0 29051
Biso mean--128.7 --
Num. residues----3593
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork
3.56-3.6490.38341390.31825781
3.649-3.74760.38671420.3115751
3.7476-3.85790.35191430.30155779
3.8579-3.98240.34861430.29435832
3.9824-4.12460.3311410.2615768
4.1246-4.28970.30821430.23935793
4.2897-4.48480.24041430.22335807
4.4848-4.72110.29061420.21015791
4.7211-5.01660.25641440.20885853
5.0166-5.40350.27461420.2285790
5.4035-5.94650.25091430.22375829
5.9465-6.80510.26381430.23055821
6.8051-8.56650.24141430.2025849
8.5665-49.6970.20211450.1955915
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.03250.05910.0320.11040.06040.03010.20390.3323-0.2501-0.02920.1434-0.27780.70560.22010.00030.6195-0.0140.040.7568-0.07110.777213.099513.160139.6674
20.040.02090.03350.00750.01070.03080.5125-0.03480.3456-0.26890.17980.2498-0.18930.17370.00051.1741-0.13710.12631.13730.09751.536845.588412.241874.0349
30.17090.1847-0.13290.1786-0.13960.0975-0.0354-0.3292-0.1798-0.3021-0.06320.3680.2088-0.0467-0.00020.72220.0124-0.1160.5767-0.03250.686915.079110.993139.2231
40.06170.03720.06530.01740.03530.0455-0.28460.23580.1325-0.04570.0372-0.23090.4696-0.0329-01.3308-0.3702-0.25761.53130.03531.516544.869610.337774.8977
50.4363-0.1673-0.35210.17780.09530.27860.04260.24390.3056-0.2968-0.248-0.52120.28680.8313-0.00680.7903-0.179-0.06510.97570.16081.081346.29448.38927.5453
60.5319-0.33890.04210.5139-0.17551.34350.2220.1394-0.0449-0.0709-0.0336-0.14230.28860.4481-0.00050.2994-0.2555-0.20941.040.06470.835858.41658.406154.0607
70.11390.08050.230.3054-0.32180.2410.1310.0660.06320.0822-0.0698-0.04340.11370.0686-0.01030.4421-0.0194-0.05470.35450.05710.42213.8725-9.099533.4349
8-0.07170.12770.05770.65690.37040.18420.1966-0.12640.00010.1217-0.0133-0.10840.4653-0.15110.09350.6146-0.1214-0.06680.32750.06120.3357-5.7081-8.287465.6049
90.38660.0511-0.10360.3384-0.23150.155-0.0264-0.14190.0666-0.25330.06350.27950.16430.04090.0010.8225-0.0032-0.19260.3569-0.01440.550918.0442-39.094163.4294
100.2240.1387-0.11650.4168-0.47790.52050.015-0.01460.17580.1722-0.21190.1789-0.0078-0.3878-0.00061.0286-0.0227-0.1180.4604-0.06980.568222.85666.6437102.6446
110.0894-0.1498-0.18830.29350.27060.2411-0.15880.06320.12310.37810.2307-0.00820.12380.11720.00520.92440.0141-0.2330.387-0.03990.543324.7404-2.220394.8847
120.2377-0.38210.19430.7293-0.06430.2813-0.1481-0.07170.2943-0.0591-0.1220.0031-0.5367-0.1221-0.00020.4699-0.0422-0.08590.4780.03550.477731.8708-11.720153.4773
130.0275-0.00250.19830.55010.09550.3633-0.14930.030.07580.11950.0322-0.0831-0.2810.0113-0.00040.4757-0.1059-0.00030.36620.03890.35313.032439.808645.2997
140.5213-0.2922-0.0850.2657-0.05050.21610.13880.1740.27730.2285-0.12040.06680.21070.06740.00010.6788-0.03330.05540.5003-0.10760.461624.99936.595678.8826
150.20830.05180.20780.1047-0.091.0815-0.0037-0.0563-0.03350.1308-0.0643-0.09-0.0659-0.0493-0.00010.1891-0.04760.01640.205-0.00520.376115.426235.514960.8955
160.419-0.02970.29940.46780.24770.67130.24260.0043-0.10710.14520.0827-0.160.2699-0.13960.16390.2793-0.00150.22190.30450.01850.164-9.858632.124969.3728
170.0210.03710.16770.2499-0.23020.27530.05040.071-0.12860.0226-0.0212-0.00990.11720.07150.0325-0.3239-0.21940.37640.2110.17870.12893.14454.739331.5684
180.0027-0.0162-0.06160.10980.28220.72760.00010.0735-0.06850.2439-0.1061-0.20370.5178-0.21170.02020.3943-0.2019-0.06980.65730.12640.3749-35.8478-12.75625.8899
190.03410.0637-0.03240.093-0.0510.02410.02320.082-0.03860.2982-0.05110.06670.26990.03660.00010.7981-0.0545-0.00340.63870.01540.4083-23.6092.505810.9978
20-0.0019-0.0001-0.010.00650.02050.0126-0.18630.28270.30370.07870.18630.5360.0948-0.33330.01080.37050.07380.10520.42510.080.4288-30.961313.270610.9508
210.3167-0.1360.21310.03220.0350.37440.2270.042-0.1320.0698-0.20390.0848-0.1101-0.03470.00380.6565-0.1063-0.05140.44880.05140.3684-32.7655-10.68431.5467
220.82620.0194-0.50340.80330.39280.5044-0.3185-0.2481-0.02810.2322-0.14710.31430.43250.2285-0.35231.5810.3521-0.43830.7059-0.12450.70640.5054-22.408395.2134
230.2322-0.02410.11830.0027-0.01290.05960.0737-0.1208-0.2691-0.07430.05390.041-0.03350.014-0.03991.12760.571-0.48481.0743-0.32950.855843.0467-18.5876108.1004
240.1860.1902-0.15340.1902-0.15320.1229-0.3952-0.44950.07450.15750.1098-0.9114-0.05850.1585-0.0571.14320.0756-0.45071.2837-0.12681.22252.7829-26.714888.2151
250.37030.0335-0.43630.0355-0.08060.54820.35170.02810.33540.23960.2432-0.557-0.36720.11290.08280.70610.1169-0.3290.96-0.30631.157856.5545-11.266887.6171
260.40170.3261-0.26470.2934-0.26690.5058-0.22520.04560.23480.06640.1593-0.31790.2364-0.0007-0.09980.53810.1633-0.26360.5019-0.04150.69240.7567-23.726470.3289
270.40540.1507-0.13080.35170.72922.089-0.070.2377-0.1107-0.1069-0.2671-0.52080.2522-0.5196-0.15640.81720.111-0.09760.39970.10750.657237.319-37.514343.4116
280.0666-0.10320.03340.1613-0.07530.1983-0.7593-0.0812-0.20160.3947-0.4562-0.14-0.216-0.1203-0.05350.88820.15530.1390.5336-0.00650.397224.9285-28.977430.6595
29-0.00060.0048-0.00480.0336-0.00920.0533-0.11250.6664-0.2308-0.1963-0.0656-0.126-0.28080.18850.00020.80390.18440.00640.84420.02040.731119.3715-35.902919.4621
300.02630.00740.02390.0051-0.00110.03740.1082-0.0073-0.3298-0.06140.0237-0.0599-0.2413-0.339500.85950.24720.01120.70670.13120.422118.3546-34.965427.4985
310.01250.01070.00440.01030.0020.0019-0.0660.08520.07150.0082-0.09410.0835-0.20770.0254-0.00031.08770.2247-0.2160.9956-0.17320.666626.6313-40.140828.4129
32-0.0004-0.0015-0.00240.01640.01810.015-0.09230.12770.12630.2841-0.1907-0.3371-0.0868-0.07610.00060.7478-0.06430.12670.5324-0.08390.717339.0846-29.777141.5738
330.1956-0.05130.03090.0282-0.02520.02440.0332-0.0955-0.00580.00710.03830.0051-0.1518-0.02220.32150.48510.15340.26410.6747-0.16450.527337.8125-35.763839.8232
340.0180.00640.00410.01580.01870.0211-0.1474-0.06010.11540.0182-0.15870.12720.0995-0.008-0.00110.62430.2018-0.23280.5997-0.17380.716826.7994-40.623838.3371
350.13320.10860.04440.3883-0.08040.15360.00280.23260.3024-0.0117-0.32920.3112-0.17540.3465-0.04110.3545-0.11150.10290.50.10590.7805-27.1932-42.095465.6098
361.0717-0.7198-0.53130.48150.35480.2594-0.33780.4023-0.65460.2884-0.29820.30410.0965-0.0504-0.09230.8436-0.3446-0.22940.64450.15330.7115-26.7801-48.498148.4485
370.5141-0.5752-0.11910.64620.14330.029-0.34660.0467-0.465-0.3317-0.04510.30170.03240.2693-0.29730.6732-0.1065-0.12250.61990.46050.4783-16.7658-49.790862.9513
380.145-0.18730.08160.3044-0.15690.08160.5227-0.0015-0.36180.0854-0.0191-0.33130.30390.06560.00290.9516-0.1172-0.20150.6076-0.18950.732428.247636.5014104.0581
390.1056-0.1356-0.00560.58940.07370.01420.1560.1179-0.5555-0.7022-0.23270.282-0.51920.347-0.00980.5263-0.056-0.04030.46210.02350.4072-7.674727.572792.7273
400.22970.09020.11950.1891-0.0410.10580.27730.0435-0.1531-0.565-0.22020.11890.363-0.0410.0020.35920.0270.00910.59150.07030.45980.062721.403695.5537
410.22940.1507-0.09540.19970.05930.18670.0949-0.04240.11760.1843-0.3890.10030.267-0.1279-0.05570.3001-0.1350.09010.60210.0730.3442-26.70196.577629.3569
420.22180.02520.25330.08110.08120.32050.01280.02650.00540.0237-0.1035-0.13430.0008-0.0985-0.6652-0.0014-0.03470.00790.5884-0.06880.4681-36.515718.187133.1817
430.5594-0.0080.7190.0782-0.14331.14280.01880.0280.08060.1038-0.19860.2012-0.0801-0.2159-0.58110.1112-0.03640.12710.6768-0.00690.4083-34.84119.121138.8577
440.26460.05070.18140.20630.05730.2236-0.0212-0.20070.06760.0422-0.1642-0.03940.0753-0.2375-0.01190.1555-0.05740.08660.36290.01790.6659-20.572124.133229.4044
450.2796-0.08390.46920.3372-0.2070.8034-0.01340.38960.1625-0.04490.0988-0.48870.2798-0.3125-0.00980.233-0.04810.19830.5353-0.01880.3607-11.7724-15.535816.9533
460.1643-0.0823-0.08640.08440.00790.09180.25650.1047-0.1808-0.6479-0.07140.51080.2032-0.03010.00150.6109-0.1488-0.12910.38990.0180.4017-20.0842-32.348626.2412
470.6918-0.2654-0.74990.57290.32631.34430.1988-0.10560.0219-0.22050.07070.0206-0.30230.22440.42570.81850.0627-0.15290.49910.02650.2202-14.4748-25.46329.2806
480.1417-0.2587-0.00270.42390.10221.01860.12010.18590.03680.337-0.081-0.01240.5323-0.11390.09870.5622-0.218-0.10880.4010.00840.6762-33.629-28.196923.1571
492.2233-1.4816-0.51611.0899-0.09842.01180.2444-0.33770.42920.64150.31180.4417-0.3264-0.14530.05261.4706-0.0025-0.18750.737-0.10760.8778-5.112130.463810.0942
500.02520.02890.02980.03910.03580.03430.254-0.07210.026-0.36010.47530.1366-0.09240.03230.00161.3323-0.27210.07381.43950.34661.4461-3.045335.35999.095
510.01210.00250.00890.0013-0.00780.1016-0.0021-0.0622-0.03030.03360.05470.0779-0.0392-0.0046-0.00170.67670.16010.20930.85630.2211.4907-5.864241.193311.0565
520.11080.0021-0.10110.0127-0.02110.1134-0.02260.01570.0810.0218-0.0118-0.0507-0.27470.3407-0.06570.6787-0.179-0.09820.4730.33080.425-8.524919.132411.9211
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'R' and (resid 2 through 10 )R2 - 10
2X-RAY DIFFRACTION2chain 'T' and (resid 2 through 16 )T2 - 16
3X-RAY DIFFRACTION3chain 'T' and (resid 17 through 27 )T17 - 27
4X-RAY DIFFRACTION4chain 'N' and (resid 3 through 17 )N3 - 17
5X-RAY DIFFRACTION5chain 'A' and (resid 3 through 104 )A3 - 104
6X-RAY DIFFRACTION6chain 'A' and (resid 105 through 260 )A105 - 260
7X-RAY DIFFRACTION7chain 'A' and (resid 261 through 573 )A261 - 573
8X-RAY DIFFRACTION8chain 'A' and (resid 574 through 844 )A574 - 844
9X-RAY DIFFRACTION9chain 'A' and (resid 845 through 1105 )A845 - 1105
10X-RAY DIFFRACTION10chain 'A' and (resid 1106 through 1208 )A0
11X-RAY DIFFRACTION11chain 'A' and (resid 1209 through 1340 )A0
12X-RAY DIFFRACTION12chain 'A' and (resid 1341 through 1446 )A0
13X-RAY DIFFRACTION13chain 'B' and (resid 20 through 242 )B20 - 242
14X-RAY DIFFRACTION14chain 'B' and (resid 243 through 307 )B243 - 307
15X-RAY DIFFRACTION15chain 'B' and (resid 308 through 561 )B308 - 561
16X-RAY DIFFRACTION16chain 'B' and (resid 562 through 774 )B562 - 774
17X-RAY DIFFRACTION17chain 'B' and (resid 775 through 1221 )B775 - 1221
18X-RAY DIFFRACTION18chain 'C' and (resid 2 through 51 )C2 - 51
19X-RAY DIFFRACTION19chain 'C' and (resid 52 through 96 )C52 - 96
20X-RAY DIFFRACTION20chain 'C' and (resid 97 through 132 )C97 - 132
21X-RAY DIFFRACTION21chain 'C' and (resid 133 through 268 )C133 - 268
22X-RAY DIFFRACTION22chain 'E' and (resid 3 through 38 )E3 - 38
23X-RAY DIFFRACTION23chain 'E' and (resid 39 through 54 )E39 - 54
24X-RAY DIFFRACTION24chain 'E' and (resid 55 through 82 )E55 - 82
25X-RAY DIFFRACTION25chain 'E' and (resid 83 through 136 )E83 - 136
26X-RAY DIFFRACTION26chain 'E' and (resid 137 through 215 )E137 - 215
27X-RAY DIFFRACTION27chain 'F' and (resid 71 through 86 )F71 - 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 142 )F133 - 142
33X-RAY DIFFRACTION33chain 'F' and (resid 143 through 147 )F143 - 147
34X-RAY DIFFRACTION34chain 'F' and (resid 148 through 154 )F148 - 154
35X-RAY DIFFRACTION35chain 'H' and (resid 2 through 53 )H2 - 53
36X-RAY DIFFRACTION36chain 'H' and (resid 54 through 99 )H54 - 99
37X-RAY DIFFRACTION37chain 'H' and (resid 100 through 146 )H100 - 146
38X-RAY DIFFRACTION38chain 'I' and (resid 2 through 52 )I2 - 52
39X-RAY DIFFRACTION39chain 'I' and (resid 53 through 87 )I53 - 87
40X-RAY DIFFRACTION40chain 'I' and (resid 88 through 119 )I88 - 119
41X-RAY DIFFRACTION41chain 'J' and (resid 1 through 14 )J1 - 14
42X-RAY DIFFRACTION42chain 'J' and (resid 15 through 28 )J15 - 28
43X-RAY DIFFRACTION43chain 'J' and (resid 29 through 51 )J29 - 51
44X-RAY DIFFRACTION44chain 'J' and (resid 52 through 65 )J52 - 65
45X-RAY DIFFRACTION45chain 'K' and (resid 1 through 20 )K1 - 20
46X-RAY DIFFRACTION46chain 'K' and (resid 21 through 55 )K21 - 55
47X-RAY DIFFRACTION47chain 'K' and (resid 56 through 70 )K56 - 70
48X-RAY DIFFRACTION48chain 'K' and (resid 71 through 114 )K71 - 114
49X-RAY DIFFRACTION49chain 'L' and (resid 28 through 32 )L28 - 32
50X-RAY DIFFRACTION50chain 'L' and (resid 33 through 47 )L33 - 47
51X-RAY DIFFRACTION51chain 'L' and (resid 48 through 52 )L48 - 52
52X-RAY DIFFRACTION52chain 'L' and (resid 53 through 70 )L53 - 70

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