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- PDB-7ked: RNA polymerase II elongation complex with unnatural base dTPT3 -

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Basic information

Entry
Database: PDB / ID: 7ked
TitleRNA polymerase II elongation complex with unnatural base dTPT3
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/DNA/RNA / RNA polymerase II / elongation complex / unnatural base / TPT3 / NAM / TRANSCRIPTION / TRANSCRIPTION-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 / 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
RNA polymerase II, heptapeptide repeat, eukaryotic / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1 C-terminal repeat / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 7 / RNA polymerase Rpb1, domain 7 superfamily / RNA polymerase Rpb1, domain 7 / Pol II subunit B9, C-terminal zinc ribbon / RNA polymerase RBP11 ...RNA polymerase II, heptapeptide repeat, eukaryotic / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1 C-terminal repeat / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 7 / RNA polymerase Rpb1, domain 7 superfamily / RNA polymerase Rpb1, domain 7 / Pol II subunit B9, C-terminal zinc ribbon / RNA polymerase RBP11 / Zinc finger TFIIS-type signature. / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 5 / DNA-directed RNA polymerase, M/15kDa subunit / RNA polymerases M/15 Kd subunit / RNA polymerase subunit 9 / DNA-directed RNA polymerase subunit RPABC5/Rpb10 / RNA polymerases, subunit N, zinc binding site / RNA polymerase subunit RPB10 / RNA polymerases N / 8 kDa subunit / RNA polymerases N / 8 Kd subunits signature. / DNA-directed RNA polymerase M, 15kDa subunit, conserved site / RNA polymerases M / 15 Kd subunits signature. / DNA-directed RNA polymerase subunit/transcription factor S / RNA polymerase, Rpb8 / DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase Rpb8 / RNA polymerase subunit 8 / RNA polymerase, Rpb5, N-terminal / RNA polymerase Rpb5, N-terminal domain superfamily / RNA polymerase Rpb5, N-terminal domain / DNA-directed RNA polymerase, subunit RPB6 / DNA directed RNA polymerase, 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. / 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. / 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 / DNA-directed RNA polymerase, RpoA/D/Rpb3-type / RNA polymerase Rpb3/RpoA insert domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerases D / DNA-directed RNA polymerase, insert domain superfamily / RNA polymerase, RBP11-like subunit / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb2, domain 2 / RNA polymerase, beta subunit, conserved site / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerase Rpb2, OB-fold / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerases beta chain signature. / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain / DNA-directed RNA polymerase, subunit 2
Similarity search - Domain/homology
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 / molecular replacement / Resolution: 3.6 Å
Model detailsRNA polymerase II, 5-guanidinohydantoin, elongation complex, DNA lesion
AuthorsOh, J. / Wang, W. / 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: Nat.Chem.Biol. / Year: 2021
Title: Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Authors: Oh, J. / Shin, J. / Unarta, I.C. / Wang, W. / Feldman, A.W. / Karadeema, R.J. / Xu, L. / Xu, J. / Chong, J. / Krishnamurthy, R. / Huang, X. / Romesberg, F.E. / Wang, D.
History
DepositionOct 10, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 23, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 14, 2021Group: Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Aug 11, 2021Group: Database references / Category: citation / database_2
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Oct 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
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
R: RNA
T: Template strand DNA
N: Non template strand DNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)487,25422
Polymers486,70613
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)169.890, 223.010, 194.700
Angle α, β, γ (deg.)90.000, 101.600, 90.000
Int Tables number5
Space group name H-MC121

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Components

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

#1: 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
#2: 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
#3: 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
#7: 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
#9: 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

#4: 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
#5: 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
#6: 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
#8: 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
#10: 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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RNA chain , 1 types, 1 molecules R

#11: 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

#12: DNA chain Template strand DNA


Mass: 8895.848 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#13: DNA chain Non template strand DNA


Mass: 4920.188 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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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: 3.7 Å3/Da / Density % sol: 66.77 %
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: SSRL / Beamline: BL12-2 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jan 11, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.55→96.26 Å / Num. obs: 82834 / % possible obs: 96.9 % / Redundancy: 3.2 % / Biso Wilson estimate: 83.19 Å2 / CC1/2: 0.893 / Rmerge(I) obs: 0.317 / Rpim(I) all: 0.21 / Rrim(I) all: 0.382 / Net I/σ(I): 2.3 / Num. measured all: 267013 / Scaling rejects: 239
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
3.55-3.623.11.5031443645830.3221.0071.8190.897
18.45-96.263.60.07922576350.9670.0510.0945.298.6

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation6.91 Å95.31 Å
Translation6.91 Å95.31 Å

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Processing

Software
NameVersionClassification
PHENIX1.13refinement
MOSFLMdata scaling
PHASER2.8.1phasing
PDB_EXTRACT3.25data extraction
MOSFLMdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2E2J

2e2j


Resolution: 3.6→82.597 Å / SU ML: 0.51 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 32.58 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3054 1833 2.29 %
Rwork0.2658 78037 -
obs0.2668 79870 97.33 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 304.14 Å2 / Biso mean: 81.599 Å2 / Biso min: 39.76 Å2
Refinement stepCycle: final / Resolution: 3.6→82.597 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27999 908 9 0 28916
Biso mean--95.28 --
Num. residues----3589
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.6-3.69740.35761410.3359591696
3.6974-3.80610.40591340.337574394
3.8061-3.9290.36071390.3131598598
3.929-4.06940.34971430.3057608499
4.0694-4.23230.32891430.2841611999
4.2323-4.4250.28031420.2678601698
4.425-4.65820.30911410.2489602398
4.6582-4.95010.2741380.2489591296
4.9501-5.33220.35141410.2559601798
5.3322-5.86870.3181450.2616613199
5.8687-6.71750.28291420.2605605798
6.7175-8.4620.28971390.2359594796
8.462-82.5970.23221450.2279608797
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)
10.94380.4114-0.17911.2440.08810.5439-0.1464-0.13310.45580.1440.0025-0.6672-0.16980.71480.13290.7975-0.2203-0.10741.20960.02061.264349.825610.932241.911
20.3852-0.01660.29750.55230.07930.98920.1383-0.0398-0.04250.0988-0.00610.05820.2631-0.0904-0.14480.6089-0.09140.02330.370.03290.398-1.584-13.48349.9257
30.8259-0.48330.49441.1271-1.30781.4544-0.0612-0.0698-0.0924-0.14580.17640.19550.253-0.0097-0.09460.74260.0009-0.11940.5034-0.02990.436517.6985-36.995365.2695
40.70760.00740.86171.49240.57031.32770.2087-0.3582-0.20290.1222-0.1848-0.505-0.1656-0.38790.01950.96170.1208-0.07560.6965-0.06870.720424.544910.8121107.1262
50.7956-0.18260.3660.2944-0.0091.1979-0.0836-0.12430.17240.2608-0.0083-0.25280.02160.24310.07490.68110.1144-0.13160.5269-0.09220.583127.0761-13.376765.6726
60.26560.1368-0.32880.5278-0.53760.90970.0244-0.20440.49730.15990.0486-0.0914-0.34330.328-0.15120.7644-0.157-0.00680.5517-0.07920.7878-0.832443.354751.5118
70.556-0.08340.53351.71730.92261.4357-0.29080.32960.3241-0.1310.06780.4244-0.8010.57920.13260.8225-0.2044-0.02760.67470.15110.6831.806144.235233.2332
80.60750.22820.54120.2180.58781.27820.038-0.148-0.01420.0284-0.0029-0.13320.08250.1137-0.07440.7262-0.03160.09810.5841-0.09590.565317.431232.959769.3945
90.06640.2857-0.21440.8807-0.39950.6165-0.0492-0.00210.24070.5472-0.0108-0.6387-0.11760.3819-0.01050.3114-0.2310.48890.67990.00190.359916.867234.850561.3269
100.97460.06460.11811.067-0.17581.10120.099-0.21260.22380.41440.0501-0.03410.0874-0.1771-0.0510.41-0.04610.56520.49410.0602-0.1216-9.220731.663565.6168
110.3002-0.20860.1610.2976-0.13630.50690.08830.0519-0.0483-0.036-0.0447-0.08310.04290.0486-0.07810.512-0.05770.04830.4156-0.02660.41723.4244.034531.6413
121.62510.00980.08050.9469-0.33542.0439-0.19890.3302-0.28090.15530.00230.0325-0.4403-0.59950.17650.7276-0.3663-0.1250.92190.06830.7249-44.8473-16.106429.5519
131.00620.0418-0.22811.1094-0.02781.18190.2827-0.1044-0.2206-0.2099-0.33110.20910.2099-0.36080.07080.4467-0.0377-0.03740.68820.07080.3742-25.17210.408113.9408
140.75080.0231-0.12180.9717-0.52191.07340.11310.09670.004-0.48470.14720.61160.15230.0327-0.20380.66080.0036-0.14390.68340.00270.5083-29.505410.385615.8129
150.2171-0.00970.15010.24040.36651.22780.4289-0.31470.0179-0.31050.31290.26470.1145-0.1085-0.3680.6714-0.3405-0.04250.78780.09531.1341-34.1612-17.121249.5166
160.47230.43070.38351.24860.20720.94170.26590.0721-0.3911-0.12620.17220.45110.5425-0.4305-0.0570.8013-0.1258-0.39810.69180.18590.7465-35.9578-19.322732.8023
172.23160.034-1.19120.7916-0.10432.3348-0.1429-0.3453-0.50940.3286-0.2161-0.30420.17910.426-0.2171.140.2279-0.7360.8684-0.19961.277939.5116-23.434695.6295
180.4599-0.20390.26790.1143-0.25290.8867-0.0272-0.413-0.0035-0.0312-0.1189-0.20620.2080.2791-0.02751.56290.5332-0.28591.8131-0.21021.192442.5188-18.7569108.5826
191.59360.455-0.08142.2390.51281.2166-0.2983-0.91720.29460.103-0.7486-0.21180.06740.10370.6221.33950.3208-0.38381.3125-0.0220.939251.269-30.336689.7539
200.4578-0.1068-0.08260.24160.65291.8319-0.02460.21820.25310.10680.273-0.08590.50730.2042-0.15651.41110.0684-0.63981.3208-0.30471.37852.5493-19.055290.7824
211.4251.1031-0.63490.8532-0.49410.29090.00860.137-0.09920.03440.1721-0.1068-0.05770.1842-0.09281.0269-0.254-0.06381.6506-0.39662.063161.1114-13.276792.0077
221.00670.8725-0.67260.8205-0.39651.93090.82480.20170.33460.13910.4697-0.37890.11070.1159-0.3951.2818-0.12420.01631.2421-0.0581.711154.6355-12.180486.6661
231.04110.0311-0.42590.31860.50511.4309-0.212-0.0558-0.12560.30350.0944-0.3783-0.14980.41450.15130.9370.1549-0.2670.5847-0.00940.709940.496-23.264572.1017
243.41443.49190.09893.72160.02140.1554-0.08860.0778-0.1924-0.28010.2027-0.33130.15180.1727-0.00321.43660.2167-0.24211.4552-0.2891.234350.2722-30.755241.4057
251.14851.12210.79281.10050.83811.5281-0.2652-0.1511-0.34370.262-0.0025-0.33980.30840.104-0.00711.17920.66430.01491.1298-0.3211.462742.4741-41.503643.7296
261.39831.69680.90472.33670.6663.20540.0068-0.0022-0.0990.04640.0841-0.0590.1380.1097-0.05691.14740.26820.13641.02960.30670.522234.0535-37.99746.2905
270.2688-0.06480.33350.0543-0.02591.4986-0.01480.1921-0.0994-0.4902-0.3811-0.1195-0.2149-0.06430.12441.19810.0785-0.20290.6558-0.03810.650124.9328-30.197833.003
280.4281-0.1085-0.30710.4474-0.28050.55360.11240.2241-0.3141-0.1690.34690.07570.3885-0.3379-0.15441.27880.1232-0.33410.91520.00311.026919.3493-35.89419.7637
290.0199-0.21810.11112.3645-1.00621.3123-0.1397-0.11-0.3320.12580.06050.12370.3958-0.2040.04541.25340.2566-0.45840.677-0.0280.946418.4253-36.03727.7551
301.57640.1451-0.28080.6345-0.52920.8868-0.04730.1158-0.2175-0.0292-0.00490.239-0.19690.06830.07631.08470.34040.0040.7879-0.36940.71432.826-34.872134.2805
310.1928-0.4904-0.45841.52451.13781.86110.1701-0.07650.03430.2146-0.047-0.0406-0.22210.2806-0.0260.7470.0090.02270.8181-0.38080.736139.6653-32.2742.7283
321.0386-0.0581.32422.5909-0.77571.96360.06410.0718-0.14980.15480.16130.23980.0833-0.05950.04050.68550.37380.1680.7761-0.10850.675926.645-40.619738.4138
330.74240.08360.1080.3095-0.11030.9396-0.1421-0.0277-0.088-0.0226-0.1228-0.25340.10230.41850.27351.1461-0.3821-0.00730.89460.1610.8888-26.8354-42.057164.7803
340.7060.0006-0.05760.72350.74720.7782-0.0688-0.1893-0.27720.3406-0.12720.18790.424-0.09730.04770.8511-0.4059-0.00180.78190.50911.3089-26.0756-47.128568.7062
350.4892-0.061-0.12570.5631-0.22970.49720.1553-0.3996-0.31920.09410.27530.148-0.0076-0.06330.14580.7925-0.5181-0.0510.77860.27060.9038-32.6306-42.454661.5357
360.41410.5149-0.78942.5874-1.24641.5467-0.1080.316-0.0472-0.25920.0392-0.27790.0287-0.03440.03760.66990.2572-0.01010.7698-0.12461.3462-21.8548-48.266341.0942
371.0812-0.94510.22031.8108-1.77492.5838-0.1070.3449-0.0655-0.561-0.0216-0.10290.6113-0.2710.0771.8108-0.65240.11641.0730.35611.4501-32.2526-51.499341.6077
381.35430.60710.42971.13330.61040.57780.2258-0.0844-0.2116-0.02370.09350.2819-0.01570.06140.0791.0453-0.6766-0.48711.11940.45721.0867-19.2296-46.680558.5193
390.5406-0.11260.37790.286-0.18110.93530.0391-0.3088-0.25710.3493-0.3523-0.21790.18490.05270.19171.4004-0.3665-0.32711.10810.35931.1213-14.8755-49.496267.1685
401.490.0547-0.14791.17550.2440.66450.0825-0.5292-0.20160.30030.1911-0.05760.3173-0.0371-0.02341.0584-0.2222-0.61220.97680.24250.9416-18.8427-43.952664.4031
410.042-0.0228-0.14440.4853-0.90612.969-0.03290.0954-0.1663-0.0186-0.08020.10250.17240.00640.16991.48180.3276-0.13421.53990.41951.3423-15.9486-55.565860.2205
420.20520.1769-0.04810.8998-0.19910.75930.1838-0.0431-0.03510.210.26790.3935-0.0496-0.5276-0.20231.3174-0.45750.11850.95210.37760.8466-30.4924-48.558656.1345
430.31870.1971-0.49861.3166-0.570.83830.3763-0.0318-0.02770.71320.16890.0521-0.17410.4478-0.09241.56750.0406-0.40660.676-0.19771.037230.064739.0676106.4253
441.3017-0.2575-0.44620.8982-0.91261.3201-0.3836-0.0951-0.12250.0792-0.19230.12470.35190.18680.59541.0228-0.1319-0.01370.6718-0.14160.732517.42132.3181100.3974
451.51870.03250.07351.3023-0.39791.23450.57810.0178-0.9107-0.3687-0.10220.0456-0.20270.0798-0.33810.9371-0.08760.09170.5342-0.03130.5659-6.028923.095292.6086
462.6252-2.7144-0.26239.4213-0.78390.42650.6416-0.9048-0.12480.89720.2198-0.68340.44080.3043-0.18770.9910.0413-0.01020.7395-0.26370.546-5.093523.6272100.1455
470.9696-0.1580.82281.5517-0.23160.7032-0.2918-0.2212-0.22620.169-0.2108-0.17840.39040.2831-0.93510.4821-0.10470.12690.64390.26180.2135-27.19646.751129.1791
481.62530.1076-0.0960.392-0.53680.7415-0.2860.3935-0.2455-0.46450.01290.1483-0.216-0.24830.06750.5135-0.04030.02490.8562-0.04740.4321-35.467916.863732.3062
491.03960.2887-0.10141.25790.47930.2284-0.2537-0.0340.1723-0.0325-0.10470.08270.0837-0.04970.14770.9580.16480.00231.01140.09561.0305-41.504121.415439.3193
501.23980.1796-1.18121.45390.1371.6626-0.3048-0.47980.046-0.0719-0.11490.17160.318-0.24130.13060.5502-0.2668-0.03640.9781-0.07830.4827-39.521211.913938.982
510.5301-0.2717-0.4230.23620.08490.5111-0.12210.0705-0.2140.08630.00450.14450.143-0.1065-0.40990.303-0.1340.36910.65970.17440.4439-31.65275.293537.617
520.17880.0314-0.18840.0056-0.03750.2146-0.03240.1045-0.07270.0658-0.12240.11620.1836-0.1478-0.24910.3607-0.14120.42780.506-0.11890.5673-22.555120.481932.1333
533.1942-0.73660.62992.74170.59590.57990.08770.09810.1482-0.9024-0.1495-0.3097-0.0108-0.04710.06550.81730.2257-0.05940.6644-0.05680.4934-18.136630.350125.1367
540.0061-0.0353-0.00960.1760.05840.03270.0333-0.0583-0.09120.05980.10940.02390.024-0.05240.31951.38530.5822-0.73250.8833-0.04510.984-9.8137-8.084819.86
551.4951-0.2674-0.14792.1375-0.20041.7074-0.05410.0909-0.0985-0.05820.36860.12990.09440.176-0.11260.9261-0.1276-0.20680.4971-0.00860.6369-14.0475-29.105520.0431
560.7153-0.66080.21490.69870.07710.91970.223-0.149-0.22630.2485-0.0380.57350.3126-0.0846-0.05630.6378-0.26670.00860.3432-0.21140.5718-26.7778-28.025928.8067
571.4577-0.0947-0.08241.84840.48321.58980.3454-0.16920.2301-0.0910.1299-0.25260.3774-0.4318-0.45330.7637-0.09160.01130.60240.17910.4979-17.7539-28.301728.7615
581.0317-0.13230.04180.2177-0.25680.9807-0.0181-0.2556-0.39720.39280.06130.35390.4461-0.3894-0.0290.6475-0.1982-0.11730.65180.02630.7605-34.4991-28.141922.553
591.0728-0.5498-0.34470.38520.17560.19580.0313-0.35810.09130.1898-0.0810.0256-0.1635-0.32330.01781.51720.1932-0.52760.79140.1461.7801-7.871333.216111.61
600.39850.39720.59290.43640.59020.892-0.16440.10540.0112-0.34060.0222-0.56470.0370.31660.03721.4861-0.57350.08862.06380.31.50331.090336.25637.6416
611.68160.2886-0.1510.69150.32381.588-0.1929-0.20540.1936-0.0620.03610.0042-0.4709-0.09720.21160.8524-0.2882-0.70081.25260.12610.9603-4.208136.365714.4488
620.75970.6366-0.53312.2850.84591.33180.33430.80070.1372-0.6285-0.1049-0.2351-0.6040.52210.13460.87280.3615-0.00661.38440.22060.5634-11.947411.842610.194
631.93260.8671-0.38491.9126-0.690.66090.6843-0.1728-0.4447-0.4552-0.8494-0.8439-0.26510.60330.05270.91420.03110.15570.72080.10241.201913.719413.44738.5233
640.0770.0289-0.04450.17650.04860.05-0.2180.1133-0.1786-0.6206-0.1164-0.1897-0.2135-0.17150.09064.49520.21140.74413.1131-0.0283.458143.687911.504974.3006
651.65690.6045-1.27153.4223-0.87661.575-0.75530.21230.41720.0376-0.1211-0.4389-0.79630.19250.79980.8060.1357-0.24620.7586-0.17370.842516.825511.551741.0026
660.3337-0.29030.29260.2501-0.25310.2516-0.2093-0.3893-0.00560.31830.4006-0.1780.1810.0878-0.06343.3567-0.12530.05243.3242-0.1412.731243.53111.897274.1999
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 347 )A3 - 347
2X-RAY DIFFRACTION2chain 'A' and (resid 348 through 844 )A348 - 844
3X-RAY DIFFRACTION3chain 'A' and (resid 845 through 1127 )A845 - 1127
4X-RAY DIFFRACTION4chain 'A' and (resid 1128 through 1281 )A0
5X-RAY DIFFRACTION5chain 'A' and (resid 1282 through 1446 )A0
6X-RAY DIFFRACTION6chain 'B' and (resid 20 through 97 )B20 - 97
7X-RAY DIFFRACTION7chain 'B' and (resid 98 through 191 )B98 - 191
8X-RAY DIFFRACTION8chain 'B' and (resid 192 through 307 )B192 - 307
9X-RAY DIFFRACTION9chain 'B' and (resid 308 through 533 )B308 - 533
10X-RAY DIFFRACTION10chain 'B' and (resid 534 through 796 )B534 - 796
11X-RAY DIFFRACTION11chain 'B' and (resid 797 through 1221 )B797 - 1221
12X-RAY DIFFRACTION12chain 'C' and (resid 2 through 26 )C2 - 26
13X-RAY DIFFRACTION13chain 'C' and (resid 27 through 104 )C27 - 104
14X-RAY DIFFRACTION14chain 'C' and (resid 105 through 176 )C105 - 176
15X-RAY DIFFRACTION15chain 'C' and (resid 177 through 195 )C177 - 195
16X-RAY DIFFRACTION16chain 'C' and (resid 196 through 268 )C196 - 268
17X-RAY DIFFRACTION17chain 'E' and (resid 4 through 38 )E4 - 38
18X-RAY DIFFRACTION18chain 'E' and (resid 39 through 55 )E39 - 55
19X-RAY DIFFRACTION19chain 'E' and (resid 56 through 71 )E56 - 71
20X-RAY DIFFRACTION20chain 'E' and (resid 72 through 89 )E72 - 89
21X-RAY DIFFRACTION21chain 'E' and (resid 90 through 103 )E90 - 103
22X-RAY DIFFRACTION22chain 'E' and (resid 104 through 131 )E104 - 131
23X-RAY DIFFRACTION23chain 'E' and (resid 132 through 215 )E132 - 215
24X-RAY DIFFRACTION24chain 'F' and (resid 69 through 73 )F69 - 73
25X-RAY DIFFRACTION25chain 'F' and (resid 74 through 78 )F74 - 78
26X-RAY DIFFRACTION26chain 'F' and (resid 79 through 83 )F79 - 83
27X-RAY DIFFRACTION27chain 'F' and (resid 84 through 102 )F84 - 102
28X-RAY DIFFRACTION28chain 'F' and (resid 103 through 116 )F103 - 116
29X-RAY DIFFRACTION29chain 'F' and (resid 117 through 127 )F117 - 127
30X-RAY DIFFRACTION30chain 'F' and (resid 128 through 137 )F128 - 137
31X-RAY DIFFRACTION31chain 'F' and (resid 138 through 147 )F138 - 147
32X-RAY DIFFRACTION32chain 'F' and (resid 148 through 154 )F148 - 154
33X-RAY DIFFRACTION33chain 'H' and (resid 2 through 30 )H2 - 30
34X-RAY DIFFRACTION34chain 'H' and (resid 31 through 43 )H31 - 43
35X-RAY DIFFRACTION35chain 'H' and (resid 44 through 60 )H44 - 60
36X-RAY DIFFRACTION36chain 'H' and (resid 61 through 82 )H61 - 82
37X-RAY DIFFRACTION37chain 'H' and (resid 83 through 92 )H83 - 92
38X-RAY DIFFRACTION38chain 'H' and (resid 93 through 106 )H93 - 106
39X-RAY DIFFRACTION39chain 'H' and (resid 107 through 118 )H107 - 118
40X-RAY DIFFRACTION40chain 'H' and (resid 119 through 127 )H119 - 127
41X-RAY DIFFRACTION41chain 'H' and (resid 128 through 140 )H128 - 140
42X-RAY DIFFRACTION42chain 'H' and (resid 141 through 146 )H141 - 146
43X-RAY DIFFRACTION43chain 'I' and (resid 2 through 28 )I2 - 28
44X-RAY DIFFRACTION44chain 'I' and (resid 29 through 62 )I29 - 62
45X-RAY DIFFRACTION45chain 'I' and (resid 63 through 99 )I63 - 99
46X-RAY DIFFRACTION46chain 'I' and (resid 100 through 119 )I100 - 119
47X-RAY DIFFRACTION47chain 'J' and (resid 1 through 14 )J1 - 14
48X-RAY DIFFRACTION48chain 'J' and (resid 15 through 25 )J15 - 25
49X-RAY DIFFRACTION49chain 'J' and (resid 26 through 31 )J26 - 31
50X-RAY DIFFRACTION50chain 'J' and (resid 32 through 39 )J32 - 39
51X-RAY DIFFRACTION51chain 'J' and (resid 40 through 51 )J40 - 51
52X-RAY DIFFRACTION52chain 'J' and (resid 52 through 60 )J52 - 60
53X-RAY DIFFRACTION53chain 'J' and (resid 61 through 65 )J61 - 65
54X-RAY DIFFRACTION54chain 'K' and (resid 1 through 9 )K1 - 9
55X-RAY DIFFRACTION55chain 'K' and (resid 10 through 39 )K10 - 39
56X-RAY DIFFRACTION56chain 'K' and (resid 40 through 52 )K40 - 52
57X-RAY DIFFRACTION57chain 'K' and (resid 53 through 71 )K53 - 71
58X-RAY DIFFRACTION58chain 'K' and (resid 72 through 114 )K72 - 114
59X-RAY DIFFRACTION59chain 'L' and (resid 28 through 38 )L28 - 38
60X-RAY DIFFRACTION60chain 'L' and (resid 39 through 48 )L39 - 48
61X-RAY DIFFRACTION61chain 'L' and (resid 49 through 58 )L49 - 58
62X-RAY DIFFRACTION62chain 'L' and (resid 59 through 70 )L59 - 70
63X-RAY DIFFRACTION63chain 'R' and (resid 1 through 10 )R1 - 10
64X-RAY DIFFRACTION64chain 'T' and (resid 5 through 14 )T5 - 14
65X-RAY DIFFRACTION65chain 'T' and (resid 15 through 28 )T15 - 28
66X-RAY DIFFRACTION66chain 'N' and (resid 1 through 10 )N1 - 10

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