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- PDB-7kef: RNA polymerase II elongation complex with unnatural base dTPT3, r... -

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Basic information

Entry
Database: PDB / ID: 7kef
TitleRNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state
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 / swing state / 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 / termination of RNA polymerase II transcription / RNA Polymerase II Promoter Escape ...RNA Polymerase I Transcription Initiation / Processing of Capped Intron-Containing Pre-mRNA / RNA Polymerase III Transcription Initiation From Type 2 Promoter / RNA Pol II CTD phosphorylation and interaction with CE / Formation of the Early Elongation Complex / mRNA Capping / RNA polymerase II transcribes snRNA genes / TP53 Regulates Transcription of DNA Repair Genes / termination of RNA polymerase II transcription / 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 / RNA Polymerase II Pre-transcription Events / termination of RNA polymerase III transcription / Formation of TC-NER Pre-Incision Complex / transcription initiation at RNA polymerase III promoter / maintenance of transcriptional fidelity during transcription elongation by RNA polymerase II / termination of RNA polymerase I transcription / RNA Polymerase I Promoter Escape / nucleolar large rRNA transcription by RNA polymerase I / Gap-filling DNA repair synthesis and ligation in TC-NER / transcription by RNA polymerase I / transcription initiation at RNA polymerase I promoter / Estrogen-dependent gene expression / transcription by RNA polymerase III / RNA polymerase II activity / Dual incision in TC-NER / transcription elongation by RNA polymerase I / transcription-coupled nucleotide-excision repair / tRNA transcription by RNA polymerase III / RNA polymerase I activity / RNA polymerase I complex / RNA polymerase III complex / translesion synthesis / RNA polymerase II, core complex / transcription initiation at RNA polymerase II promoter / transcription elongation by RNA polymerase II / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / cytoplasmic stress granule / 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, 30-40kDa subunit, conserved site / DNA-directed RNA polymerase subunit Rpo3/Rpb3/RPAC1 / RNA polymerases D / 30 to 40 Kd subunits signature. / DNA-directed RNA polymerase Rpb11, 13-16kDa subunit, conserved site / DNA-directed RNA polymerase subunit Rpo11 / RNA polymerases L / 13 to 16 Kd subunits signature. / Zinc finger, TFIIS-type / DNA-directed RNA polymerase subunit Rpo5/Rpb5 / Transcription factor S-II (TFIIS) / Zinc finger TFIIS-type profile. / C2C2 Zinc finger / DNA-directed RNA polymerase, RBP11-like dimerisation domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerase, subunit H/Rpb5 C-terminal / RNA polymerase subunit RPABC4/transcription elongation factor Spt4 / RPB5-like RNA polymerase subunit superfamily / RNA polymerase Rpb5, C-terminal domain / Archaeal Rpo6/eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, 14-18kDa subunit, conserved site / RNA polymerases K / 14 to 18 Kd subunits signature. / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb1, domain 3 superfamily / RPB6/omega subunit-like superfamily / RNA polymerase Rpb1, clamp domain superfamily / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 4 / 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 / 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
Similarity search - Domain/homology
Chem-WC4 / DNA / DNA (> 10) / RNA / DNA-directed RNA polymerase II subunit RPB1 / DNA-directed RNA polymerase II subunit RPB2 / DNA-directed RNA polymerase II subunit RPB3 / DNA-directed RNA polymerases I, II, and III subunit RPABC1 / DNA-directed RNA polymerases I, II, and III subunit RPABC2 / DNA-directed RNA polymerases I, II, and III subunit RPABC3 ...Chem-WC4 / 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: 3.89 Å
Model detailsRNA polymerase II, 5-guanidinohydantoin, elongation complex, DNA lesion
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: 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)487,62423
Polymers486,70613
Non-polymers91810
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)167.713, 221.711, 193.255
Angle α, β, γ (deg.)90.000, 101.780, 90.000
Int Tables number5
Space group name H-MC121
Components on special symmetry positions
IDModelComponents
11N-17-

DG

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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 , 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-WC4 / (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol


Mass: 370.291 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C16H19O8P / 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: 3.61 Å3/Da / Density % sol: 65.95 % / Mosaicity: 0.31 °
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 390mM (NH4)2HPO4/NaH2PO4, pH 6.5, 5mM dioxane, 5mM DTT, 10-12% PEG6000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 28, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.89→48.701 Å / Num. obs: 63384 / % possible obs: 99.9 % / Redundancy: 7.4 % / Biso Wilson estimate: 107.58 Å2 / CC1/2: 0.904 / Rmerge(I) obs: 1.008 / Rpim(I) all: 0.4 / Rrim(I) all: 1.085 / Net I/σ(I): 2.5
Reflection shellResolution: 3.89→3.99 Å / Redundancy: 7.5 % / Rmerge(I) obs: 5.216 / Num. measured all: 33419 / Num. unique obs: 4484 / CC1/2: 0.296 / Rpim(I) all: 2.049 / Rrim(I) all: 5.607 / Net I/σ(I) obs: 0.4 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX1.13refinement
MOSFLMdata reduction
Aimless0.7.3data scaling
PDB_EXTRACT3.25data extraction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2e2j

2e2j


Resolution: 3.89→48.7 Å / SU ML: 0.65 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 35.14 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3255 1979 3.17 %
Rwork0.2683 60536 -
obs0.2701 62515 98.61 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 277.75 Å2 / Biso mean: 115.2594 Å2 / Biso min: 48.05 Å2
Refinement stepCycle: final / Resolution: 3.89→48.7 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28079 1090 33 0 29202
Biso mean--116.93 --
Num. residues----3590
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.89-3.98720.43281280.3649370484
3.9872-4.0950.37351400.3348433899
4.095-4.21540.35131420.3181431299
4.2154-4.35140.36661420.29514358100
4.3514-4.50680.33351430.29134382100
4.5068-4.68710.37011410.27954335100
4.6871-4.90030.29971440.27384399100
4.9003-5.15840.33981410.2764357100
5.1584-5.48110.33051430.28744362100
5.4811-5.90370.37751410.28864359100
5.9037-6.49650.32351440.29114399100
6.4965-7.43380.33421440.27344410100
7.4338-9.35490.27211420.21414400100
9.3549-48.70.26821440.2073442199
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)
10.61490.1206-0.58070.52260.21050.51170.29410.24940.06320.0542-0.0922-0.25520.32590.4690.00030.8255-0.002-0.17851.07470.12851.2136219.25868.553941.3198
20.0470.19010.30620.7751-0.12730.02790.33320.02450.01750.3244-0.0904-0.22350.35630.09540.00290.2393-0.0620.06310.46510.03520.3898181.2537-8.605333.4032
30.1809-0.1105-0.07630.02380.00210.22280.0599-0.0479-0.05630.17170.0303-0.14070.16570.013400.6254-0.0547-0.01910.37440.04320.4921180.3074-15.184472.0054
40.1081-0.2105-0.37720.60240.41030.45690.38420.0336-0.12460.3434-0.1699-0.20450.03320.09050.0380.624-0.13260.07560.50790.13630.5246165.843940.695340.5386
50.46740.2933-0.16250.1080.08480.24440.42080.23850.0590.2236-0.1902-0.13520.99490.7971-0.00150.8649-0.0915-0.0850.6234-0.02850.7963190.634332.824273.8274
60.2821-0.1221-0.3080.05860.09880.1707-0.3233-0.02820.80930.37110.16250.6851-1.0487-0.0903-0.00350.8355-0.1106-0.08290.58270.09930.9504194.631442.604280.3936
70.1523-0.0175-0.05070.26540.1870.08990.01930.69760.1532-0.25720.07270.38160.20420.44070.02090.5492-0.1779-0.01110.8459-0.05590.6159182.972936.829662.3582
8-0.07680.24940.11490.22850.02360.1017-0.03480.5285-0.367-0.321-0.07050.205-0.6936-0.0423-0.04220.71010.0071-0.01590.4706-0.02270.6178174.335129.867950.2371
90.1072-0.0983-0.00210.1904-0.0785-0.0017-0.01480.2349-0.5776-0.04710.11990.5292-0.41360.04050.00240.49260.02510.14090.4545-0.01530.506166.490442.151575.8403
100.2212-0.28070.11710.2668-0.1769-0.01150.1126-0.07110.1305-0.0813-0.2406-0.1263-0.1633-0.55940.00010.68120.1298-0.00270.7229-0.02280.5438150.070224.997564.0348
110.51960.48530.29740.4278-0.3480.4031-0.17770.1590.0931-0.2078-0.24140.0177-0.7854-0.0599-0.2136-0.9908-0.08390.8310.38130.02690.2325161.777313.156829.0297
120.0312-0.1514-0.02530.50690.21960.0586-0.01980.39260.40480.3267-0.1567-0.1989-0.6386-0.2471-0.00360.0523-0.39340.36920.74650.34730.3973171.031316.481116.5825
130.4076-0.6436-0.01930.5283-0.390.0827-0.2462-0.02960.4355-0.3185-0.01990.51190.02750.002-0.054-0.252-0.21590.47160.47370.28930.2793156.087-1.257642.2724
140.1645-0.0085-0.1810.0462-0.13160.1468-0.4091-0.0088-0.53940.41550.0461-0.747-0.76290.3301-0.00960.48310.14730.09490.81110.04790.9032210.3842-6.532929.0417
150.0817-0.0440.08840.0833-0.00360.046-0.21070.2755-0.1427-0.2657-0.3681-0.00490.02-0.41180.00040.8047-0.2327-0.04810.9050.00090.6487127.6069-15.516829.0374
160.12540.12710.18330.06470.18090.2771-0.332-0.3211-0.33440.0962-0.08360.072-0.30670.496-0.83060.0355-0.37280.54290.21440.8658-0.397143.45683.787514.0913
170.32020.0943-0.0740.0267-0.01870.04450.0347-0.18520.6127-0.15160.05510.06280.28910.25030.01440.5254-0.1165-0.03610.87640.03350.4701144.19343.54223.6529
18-0.00780.07830.08110.0468-0.031500.3920.56070.0351-0.31-0.0404-0.0940.18580.51240.00060.58290.0375-0.13270.59180.11210.6413135.670315.185614.8684
190.4708-0.02490.1335-0.0385-0.1052-0.0151-0.0221-0.1008-0.27130.2738-0.2355-0.38390.43560.3085-0.00070.9969-0.0808-0.08470.4809-0.10520.472134.3269-9.386938.0518
200.25420.0644-0.13260.02940.00811.76010.21640.29280.25610.04540.14440.27610.8099-0.07010.3192-0.1780.09110.2360.7829-0.02370.6408134.0996-20.807825.5821
210.23590.263-0.08370.2757-0.05710.04930.10240.01790.44030.0544-0.06490.36730.04870.15950.02571.19750.1622-0.22130.6795-0.22860.7616208.6157-22.369798.9354
220.05430.0543-0.11110.23670.0240.09680.0154-0.41950.07330.04120.2972-0.3282-0.36740.07930.37120.81390.0361-0.31850.7077-0.17380.8561221.2527-16.416387.7149
230.0605-0.0116-0.0651-0.0029-0.15330.1623-0.18470.2806-0.1898-0.32260.20160.21220.6416-0.2786-0.0180.8590.1207-0.33350.6404-0.08640.6559207.085-23.882570.3697
241.4602-0.61620.84070.8996-1.00441.16570.53510.0587-0.0950.39990.506-0.0147-0.0822-0.04270.31270.5236-0.01250.2030.5494-0.25110.5865203.6098-37.917243.7804
250.06020.0214-0.02060.0188-0.02050.0496-0.65460.1093-0.10310.12930.0799-0.0469-0.1850.35390.00230.52810.1172-0.15870.9909-0.11380.8087191.9844-28.640129.8729
260.35510.07160.18030.020.04160.0870.68270.006-0.2389-0.15340.6503-0.47630.16590.25120.03061.0220.11940.26250.83180.1040.7042186.0275-36.494319.6797
270.0338-0.0080.00180.0215-0.00290.00520.21930.07910.0539-0.06850.0944-0.2705-0.0881-0.24870.00080.56920.02160.07850.7480.07230.8847185.6349-35.771427.5448
280.0980.02010.04290.0384-0.01350.02670.1187-0.55750.44820.1777-0.1218-0.3928-0.34260.6125-0.0020.8234-0.20.02590.93550.13150.9763199.9778-34.768434.0762
290.013-0.0337-0.00140.0827-0.00270.0515-0.1833-0.31980.32320.2110.11760.3515-0.35250.16330.00051.39380.1438-0.11190.7298-0.09590.7726200.569-35.724540.7726
300.2273-0.11210.24550.0777-0.12320.1606-0.55180.0390.0744-0.2512-0.6149-0.5025-0.46670.1238-0.06240.7627-0.11540.21630.6762-0.03320.8486139.1834-42.569164.5386
310.01650.0020.02240.0029-0.00650.01620.00360.15910.2591-0.1726-0.1525-0.004-0.085-0.16530.00051.5448-0.1962-0.1871.32080.12651.014144.6756-47.767541.024
320.4188-0.2375-0.15070.12770.07260.0466-0.77210.1475-0.2364-0.60420.35210.32840.7347-0.1902-0.05631.1703-0.36580.05680.58820.21070.7702146.5916-47.08558.3756
330.00140.0118-0.00210.0162-0.00110.01930.0639-0.2801-0.30920.1361-0.48820.40040.0923-0.3594-0.00011.49460.124-0.08261.2498-0.19711.044151.3185-55.350161.2943
340.01320.00140.0150.0033-0.00260.0229-0.23950.06010.12050.0205-0.6760.08460.25510.0413-0.00380.60630.00610.29111.11770.47961.1021136.4168-46.948956.6194
350.0165-0.04290.05730.075-0.06140.04980.08660.38980.1615-0.0175-0.0269-0.18160.23820.17440.00021.0331-0.0384-0.0490.885-0.20860.8933194.944636.2924103.8399
360.20710.10640.10540.28890.08040.1684-0.2412-0.6640.003-0.4412-0.07090.0277-0.09940.295-0.03650.7359-0.38960.27770.71120.13190.3808160.771928.676989.8179
370.02680.0303-0.01940.081-0.09170.0951-0.219-0.3-0.0843-0.049-0.58860.31670.3686-0.2992-0.00060.70.07360.1271.2224-0.09150.7881162.943524.015194.3176
380.01840.0060.0260.04670.01410.02770.1652-0.0348-0.1949-0.07660.36050.255-0.1467-0.0738-0.00031.19410.1622-0.47241.18020.11571.748167.188218.3333102.8753
390.8713-0.17790.29180.09860.09290.44280.6215-0.29390.47390.00530.2706-0.0222-0.1704-0.09270.76210.0678-0.03790.74461.09960.40180.2488142.19227.748629.1972
400.1290.0136-0.0550.0006-0.00140.144-0.13480.0075-0.1285-0.093-0.1344-0.09020.2648-0.0927-0.152-0.11660.14750.48880.6446-0.04111.1148134.33987.97227.9092
410.0277-0.01260.03380.0135-0.00250.04130.04730.01220.1109-0.09290.07380.3304-0.18450.2390.00120.4985-0.21270.63430.49020.05661.3454129.521220.468835.5739
420.1230.0760.00060.05690.01260.0117-0.0243-0.1291-0.06850.0421-0.03270.015-0.0565-0.0342-0.02570.32870.39050.42361.2985-0.22890.7518128.286312.502539.2893
430.0656-0.0157-0.07190.04750.03830.08780.12320.2250.0757-0.00630.00210.0996-0.0307-0.22420.02720.151-0.19210.17391.03330.56060.9679133.27893.7436.5284
440.09120.15580.10560.29350.18470.1537-0.01620.0972-0.09040.0769-0.22450.10970.3139-0.00450.13910.2250.2420.33590.8341-0.06670.2575140.329812.007136.1913
450.0221-0.0531-0.03610.09920.06550.03730.04850.14-0.1197-0.07080.0590.0069-0.0874-0.01850.05830.2376-0.16050.45320.7352-0.01340.9418148.360227.476227.0517
460.22060.08010.01820.1260.09690.0588-0.02890.0441-0.0240.0176-0.12210.03260.1640.10.01140.2505-0.09080.8310.5755-0.05670.7138157.6122-8.062519.5817
470.0222-0.047-0.01440.08270.0126-0.00920.2722-0.07030.213-0.1272-0.1796-0.33070.0094-0.33220.00140.625-0.0946-0.00680.7779-0.07880.5347154.5598-30.459319.5052
480.1340.0187-0.02140.2350.17750.22220.1107-0.2362-0.6999-0.1203-0.05040.21660.090.120.26161.2229-0.2785-0.47880.54990.40241.1895143.8694-29.199227.5664
490.3020.01780.57820.06330.06091.32730.34430.5603-0.26430.05490.2770.02291.31130.04320.20680.6939-0.319-0.11920.5230.10850.892137.1162-26.134822.9538
500.02130.0204-0.0070.0172-0.00450.0017-0.0417-0.1039-0.01020.0197-0.0545-0.1920.0685-0.00220.00051.3040.0509-0.69810.9705-0.25551.4713161.084827.92074.5434
510.01360.00960.01670.01440.01540.01520.07510.04370.17810.17850.12950.2886-0.11570.4853-0.00112.24410.06570.44361.92580.5061.2697163.314234.0628.9494
520.0682-0.0077-0.01860.08530.02740.01170.1456-0.1171-0.01640.00660.1464-0.0457-0.2530.05320.11680.42550.03430.87671.1240.22961.7063164.820340.046613.2468
530.00950.0114-0.00740.0286-0.03010.02570.0991-0.00730.09720.0519-0.0426-0.0385-0.16170.12470.00061.535-0.1613-0.34110.81840.26950.8595164.03128.934513.2613
540.27840.0071-0.29030.3405-0.22970.6454-0.2827-0.00890.2597-0.2784-0.0095-0.4122-0.14010.0373-0.57860.63910.28990.10330.880.22580.7467155.776710.511110.0531
550.1030.0863-0.0420.0860.02760.0308-0.01180.097-0.4737-0.2409-0.3518-0.4345-0.143-0.0068-0.00421.38430.4520.34720.92150.02781.0896181.323713.242138.8131
560.02580.01610.08840.0110.04130.05450.59480.1110.0918-0.34680.5382-0.5914-0.280.24180.01741.9605-0.25830.94151.91540.2821.9569213.790512.376676.4069
570.0181-0.0610.00920.0580.009-0.0190.43230.1208-0.2496-0.18360.07380.05950.5937-0.40270.00080.89210.0410.09480.9916-0.07751.0104182.959511.770839.5743
580.0156-0.0540.03730.08290.106-0.0085-0.1091-0.52180.40570.7040.0107-0.5220.16340.66610.00231.8896-0.05330.27782.0771-0.07691.4407213.39699.920377.0585
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 260 )A3 - 260
2X-RAY DIFFRACTION2chain 'A' and (resid 261 through 573 )A261 - 573
3X-RAY DIFFRACTION3chain 'A' and (resid 574 through 1445 )A574 - 1445
4X-RAY DIFFRACTION4chain 'B' and (resid 20 through 212 )B20 - 212
5X-RAY DIFFRACTION5chain 'B' and (resid 213 through 297 )B213 - 297
6X-RAY DIFFRACTION6chain 'B' and (resid 298 through 372 )B298 - 372
7X-RAY DIFFRACTION7chain 'B' and (resid 373 through 433 )B373 - 433
8X-RAY DIFFRACTION8chain 'B' and (resid 434 through 560 )B434 - 560
9X-RAY DIFFRACTION9chain 'B' and (resid 561 through 643 )B561 - 643
10X-RAY DIFFRACTION10chain 'B' and (resid 644 through 776 )B644 - 776
11X-RAY DIFFRACTION11chain 'B' and (resid 777 through 887 )B777 - 887
12X-RAY DIFFRACTION12chain 'B' and (resid 888 through 982 )B888 - 982
13X-RAY DIFFRACTION13chain 'B' and (resid 983 through 1140 )B983 - 1140
14X-RAY DIFFRACTION14chain 'B' and (resid 1141 through 1224 )B0
15X-RAY DIFFRACTION15chain 'C' and (resid 3 through 39 )C3 - 39
16X-RAY DIFFRACTION16chain 'C' and (resid 40 through 84 )C40 - 84
17X-RAY DIFFRACTION17chain 'C' and (resid 85 through 104 )C85 - 104
18X-RAY DIFFRACTION18chain 'C' and (resid 105 through 151 )C105 - 151
19X-RAY DIFFRACTION19chain 'C' and (resid 152 through 214 )C152 - 214
20X-RAY DIFFRACTION20chain 'C' and (resid 215 through 268 )C215 - 268
21X-RAY DIFFRACTION21chain 'E' and (resid 2 through 65 )E2 - 65
22X-RAY DIFFRACTION22chain 'E' and (resid 66 through 137 )E66 - 137
23X-RAY DIFFRACTION23chain 'E' and (resid 138 through 215 )E138 - 215
24X-RAY DIFFRACTION24chain 'F' and (resid 72 through 86 )F72 - 86
25X-RAY DIFFRACTION25chain 'F' and (resid 87 through 103 )F87 - 103
26X-RAY DIFFRACTION26chain 'F' and (resid 104 through 116 )F104 - 116
27X-RAY DIFFRACTION27chain 'F' and (resid 117 through 127 )F117 - 127
28X-RAY DIFFRACTION28chain 'F' and (resid 128 through 137 )F128 - 137
29X-RAY DIFFRACTION29chain 'F' and (resid 138 through 155 )F138 - 155
30X-RAY DIFFRACTION30chain 'H' and (resid 2 through 60 )H2 - 60
31X-RAY DIFFRACTION31chain 'H' and (resid 61 through 82 )H61 - 82
32X-RAY DIFFRACTION32chain 'H' and (resid 83 through 126 )H83 - 126
33X-RAY DIFFRACTION33chain 'H' and (resid 127 through 140 )H127 - 140
34X-RAY DIFFRACTION34chain 'H' and (resid 141 through 146 )H141 - 146
35X-RAY DIFFRACTION35chain 'I' and (resid 2 through 52 )I2 - 52
36X-RAY DIFFRACTION36chain 'I' and (resid 53 through 74 )I53 - 74
37X-RAY DIFFRACTION37chain 'I' and (resid 75 through 111 )I75 - 111
38X-RAY DIFFRACTION38chain 'I' and (resid 112 through 120 )I112 - 120
39X-RAY DIFFRACTION39chain 'J' and (resid 1 through 10 )J1 - 10
40X-RAY DIFFRACTION40chain 'J' and (resid 11 through 17 )J11 - 17
41X-RAY DIFFRACTION41chain 'J' and (resid 18 through 31 )J18 - 31
42X-RAY DIFFRACTION42chain 'J' and (resid 32 through 38 )J32 - 38
43X-RAY DIFFRACTION43chain 'J' and (resid 39 through 46 )J39 - 46
44X-RAY DIFFRACTION44chain 'J' and (resid 47 through 55 )J47 - 55
45X-RAY DIFFRACTION45chain 'J' and (resid 56 through 65 )J56 - 65
46X-RAY DIFFRACTION46chain 'K' and (resid 1 through 9 )K1 - 9
47X-RAY DIFFRACTION47chain 'K' and (resid 10 through 34 )K10 - 34
48X-RAY DIFFRACTION48chain 'K' and (resid 35 through 63 )K35 - 63
49X-RAY DIFFRACTION49chain 'K' and (resid 64 through 114 )K64 - 114
50X-RAY DIFFRACTION50chain 'L' and (resid 25 through 29 )L25 - 29
51X-RAY DIFFRACTION51chain 'L' and (resid 30 through 44 )L30 - 44
52X-RAY DIFFRACTION52chain 'L' and (resid 45 through 54 )L45 - 54
53X-RAY DIFFRACTION53chain 'L' and (resid 55 through 59 )L55 - 59
54X-RAY DIFFRACTION54chain 'L' and (resid 60 through 70 )L60 - 70
55X-RAY DIFFRACTION55chain 'R' and (resid 1 through 10 )R1 - 10
56X-RAY DIFFRACTION56chain 'T' and (resid 1 through 15 )T1 - 15
57X-RAY DIFFRACTION57chain 'T' and (resid 16 through 28 )T16 - 28
58X-RAY DIFFRACTION58chain 'N' and (resid 3 through 17 )N3 - 17

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