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- PDB-5u5q: 12 Subunit RNA Polymerase II at Room Temperature collected using SFX -

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Basic information

Entry
Database: PDB / ID: 5u5q
Title12 Subunit RNA Polymerase II at Room Temperature collected using SFX
Components
  • (DNA-directed RNA polymerase II subunit ...Polymerase) x 7
  • (DNA-directed RNA polymerases I, II, and III subunit ...RNA polymerase) x 5
KeywordsTRANSFERASE / DNA-DIRECTED RNA POLYMERASE / TRANSCRIPTION / Serial Femtosecond Crystallography
Function / homology
Function and homology information


RPB4-RPB7 complex / : / nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay / RNA Polymerase I Transcription Initiation / : / positive regulation of nuclear-transcribed mRNA poly(A) tail shortening / 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 ...RPB4-RPB7 complex / : / nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay / RNA Polymerase I Transcription Initiation / : / positive regulation of nuclear-transcribed mRNA poly(A) tail shortening / 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 / Formation of TC-NER Pre-Incision Complex / termination of RNA polymerase II transcription / RNA polymerase II transcribes snRNA genes / RNA Polymerase I Promoter Escape / TP53 Regulates Transcription of DNA Repair Genes / Estrogen-dependent gene expression / RNA Polymerase II Promoter Escape / RNA Polymerase II Transcription Pre-Initiation And Promoter Opening / RNA Polymerase II Transcription Initiation / RNA Polymerase II Transcription Initiation And Promoter Clearance / RNA-templated transcription / termination of RNA polymerase III transcription / maintenance of transcriptional fidelity during transcription elongation by RNA polymerase II / RNA Polymerase II Pre-transcription Events / Dual incision in TC-NER / RNA polymerase I activity / termination of RNA polymerase I transcription / transcription initiation at RNA polymerase III promoter / tRNA transcription by RNA polymerase III / nucleolar large rRNA transcription by RNA polymerase I / Gap-filling DNA repair synthesis and ligation in TC-NER / transcription initiation at RNA polymerase I promoter / transcription elongation by RNA polymerase I / positive regulation of translational initiation / RNA polymerase II activity / transcription-coupled nucleotide-excision repair / translesion synthesis / RNA polymerase I complex / transcription by RNA polymerase I / RNA polymerase III complex / transcription by RNA polymerase III / RNA polymerase II, core complex / translation initiation factor binding / P-body / transcription elongation by RNA polymerase II / transcription initiation at RNA polymerase II promoter / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / cytoplasmic stress granule / peroxisome / single-stranded DNA binding / ribosome biogenesis / transcription by RNA polymerase II / single-stranded RNA binding / nucleic acid binding / protein dimerization activity / nucleotide binding / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / metal ion binding / nucleus / cytoplasm
Similarity search - Function
RNA Polymerase II, Rpb4 subunit / RNA polymerase Rpb7-like, N-terminal domain / 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 II, Rpb4 subunit / RNA polymerase Rpb7-like, N-terminal domain / 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 / Growth Hormone; Chain: A; / N-terminal domain of TfIIb / Rubrerythrin, domain 2 / DNA-directed RNA polymerase II subunit Rpb4-like / RNA polymerase Rpb4/RPC9, core / DNA-directed RNA-polymerase II subunit / 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 / Rpb4/RPC9 superfamily / Pol II subunit B9, C-terminal zinc ribbon / RNA polymerase RBP11 / Gyrase A; domain 2 / RNA polymerase subunit Rpb4/RPC9 / RNA polymerase Rpb4 / Zinc finger TFIIS-type signature. / RNA polymerase subunit Rpb7-like / RNA polymerase Rpb7-like , N-terminal / RNA polymerase Rpb7-like, N-terminal domain superfamily / SHS2 domain found in N terminus of Rpb7p/Rpc25p/MJ0397 / HRDC-like superfamily / 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 subunit Rpo11 / DNA directed RNA polymerase, 7 kDa subunit / RNA polymerase archaeal subunit P/eukaryotic subunit RPABC4 / RNA polymerase, subunit H/Rpb5, conserved site / RNA polymerases H / 23 Kd subunits signature. / RNA polymerase subunit CX / DNA-directed RNA polymerase Rpb11, 13-16kDa subunit, conserved site / DNA-directed RNA polymerase subunit Rpo5/Rpb5 / RNA polymerases L / 13 to 16 Kd subunits signature. / Homeodomain-like / Zinc finger, TFIIS-type / Transcription factor S-II (TFIIS) / Zinc finger TFIIS-type profile. / C2C2 Zinc finger / 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 / 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. / Ribosomal protein S1-like RNA-binding domain / S1 RNA binding domain / S1 domain / Single Sheet / Nucleic acid-binding proteins / Dna Ligase; domain 1 / 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
Similarity search - Domain/homology
DNA-directed RNA polymerase II subunit RPB1 / DNA-directed RNA polymerase II subunit RPB2 / DNA-directed RNA polymerase II subunit RPB3 / DNA-directed RNA polymerase II subunit RPB4 / 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 RPB7 ...DNA-directed RNA polymerase II subunit RPB1 / DNA-directed RNA polymerase II subunit RPB2 / DNA-directed RNA polymerase II subunit RPB3 / DNA-directed RNA polymerase II subunit RPB4 / 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 RPB7 / 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)
MethodX-RAY DIFFRACTION / FREE ELECTRON LASER / Resolution: 3.8 Å
AuthorsBushnell, D.A. / Oberthur, D. / Mariani, V. / Yefanov, O. / Tolstikova, A. / Barty, A.
Funding support United States, 1items
OrganizationGrant numberCountry
National Science Foundation (NSF, United States)NSF-1231306 United States
CitationJournal: Sci Rep / Year: 2017
Title: Double-flow focused liquid injector for efficient serial femtosecond crystallography.
Authors: Oberthuer, D. / Knoska, J. / Wiedorn, M.O. / Beyerlein, K.R. / Bushnell, D.A. / Kovaleva, E.G. / Heymann, M. / Gumprecht, L. / Kirian, R.A. / Barty, A. / Mariani, V. / Tolstikova, A. / ...Authors: Oberthuer, D. / Knoska, J. / Wiedorn, M.O. / Beyerlein, K.R. / Bushnell, D.A. / Kovaleva, E.G. / Heymann, M. / Gumprecht, L. / Kirian, R.A. / Barty, A. / Mariani, V. / Tolstikova, A. / Adriano, L. / Awel, S. / Barthelmess, M. / Dorner, K. / Xavier, P.L. / Yefanov, O. / James, D.R. / Nelson, G. / Wang, D. / Calvey, G. / Chen, Y. / Schmidt, A. / Szczepek, M. / Frielingsdorf, S. / Lenz, O. / Snell, E. / Robinson, P.J. / Sarler, B. / Belsak, G. / Macek, M. / Wilde, F. / Aquila, A. / Boutet, S. / Liang, M. / Hunter, M.S. / Scheerer, P. / Lipscomb, J.D. / Weierstall, U. / Kornberg, R.D. / Spence, J.C. / Pollack, L. / Chapman, H.N. / Bajt, S.
History
DepositionDec 7, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 29, 2017Provider: repository / Type: Initial release
Revision 1.1Sep 6, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Nov 1, 2017Group: Author supporting evidence / Category: pdbx_struct_assembly_auth_evidence
Revision 1.3Feb 14, 2018Group: Data collection / Category: diffrn_source
Item: _diffrn_source.pdbx_synchrotron_beamline / _diffrn_source.pdbx_synchrotron_site
Revision 1.4Sep 19, 2018Group: Data collection / Category: diffrn_detector / Item: _diffrn_detector.detector
Revision 1.5Nov 27, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization

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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
D: DNA-directed RNA polymerase II subunit RPB4
E: DNA-directed RNA polymerases I, II, and III subunit RPABC1
F: DNA-directed RNA polymerases I, II, and III subunit RPABC2
G: DNA-directed RNA polymerase II subunit RPB7
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)514,70621
Polymers514,15812
Non-polymers5489
Water0
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area65200 Å2
ΔGint-320 kcal/mol
Surface area167290 Å2
Unit cell
Length a, b, c (Å)223.400, 396.800, 287.900
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number20
Space group name H-MC2221
DetailsAssembly confirmed by gel filtration

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Components

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DNA-directed RNA polymerase II subunit ... , 7 types, 7 molecules ABCDGIK

#1: Protein DNA-directed RNA polymerase II subunit RPB1 / Polymerase / RNA polymerase II subunit B1 / DNA-directed RNA polymerase III largest subunit / RNA polymerase II ...RNA polymerase II subunit B1 / DNA-directed RNA polymerase III largest subunit / RNA polymerase II subunit B220


Mass: 191821.578 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P04050, DNA-directed RNA polymerase
#2: Protein DNA-directed RNA polymerase II subunit RPB2 / Polymerase / RNA polymerase II subunit 2 / B150 / DNA-directed RNA polymerase II 140 kDa polypeptide


Mass: 138937.297 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P08518, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase II subunit RPB3 / Polymerase / RNA polymerase II subunit B3 / B44.5 / DNA-directed RNA polymerase II 45 kDa polypeptide


Mass: 35330.457 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P16370
#4: Protein DNA-directed RNA polymerase II subunit RPB4 / Polymerase / RNA polymerase II subunit B4 / B32 / DNA-directed RNA polymerase II 32 kDa polypeptide


Mass: 25451.191 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: P20433
#7: Protein DNA-directed RNA polymerase II subunit RPB7 / Polymerase / RNA polymerase II subunit B7 / B16


Mass: 19081.053 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: P34087
#9: Protein DNA-directed RNA polymerase II subunit RPB9 / Polymerase / RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA- ...RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA-directed RNA polymerase II subunit 9


Mass: 14308.161 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P27999
#11: Protein DNA-directed RNA polymerase II subunit RPB11 / Polymerase / RNA polymerase II subunit B11 / B13.6 / DNA-directed RNA polymerase II 13.6 kDa polypeptide


Mass: 13633.493 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P38902

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DNA-directed RNA polymerases I, II, and III subunit ... , 5 types, 5 molecules EFHJL

#5: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC1 / RNA polymerase / RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / and III 27 ...RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / and III 27 kDa polypeptide


Mass: 25117.094 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20434
#6: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC2 / RNA polymerase / RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / and III 23 ...RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / and III 23 kDa polypeptide


Mass: 17931.834 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20435
#8: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC3 / RNA polymerase / RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I ...RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I / and III 14.5 kDa polypeptide


Mass: 16525.363 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20436
#10: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC5 / RNA polymerase / RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I ...RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I / and III 8.3 kDa polypeptide


Mass: 8290.732 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P22139
#12: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase / RNA polymerases I / II / and III subunit ABC4 / ABC10-alpha


Mass: 7729.969 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P40422

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Non-polymers , 2 types, 9 molecules

#13: Chemical
ChemComp-ZN / ZINC ION


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


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg

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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: 6.2 Å3/Da / Density % sol: 80.18 %
Crystal growTemperature: 289.65 K / Method: microdialysis / pH: 6.3
Details: 21-22% PEG 400, 5% PEG 5%, 100 mM Ammonium Phosphate pH 6.3, 100 mM NaCl, 1 mM ZnCl2 and 10 mM DTT

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Data collection

DiffractionMean temperature: 293.15 K
Diffraction sourceSource: FREE ELECTRON LASER / Site: SLAC LCLS / Beamline: CXI / Wavelength: 1.55 Å
DetectorType: CS-PAD CXI-2 / Detector: PIXEL / Date: May 26, 2015
Details: 90 150 nm2 FWHM (V H) with Kirkpatrick-Baez mirrors
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.55 Å / Relative weight: 1
ReflectionResolution: 3.8→40.611 Å / Num. obs: 123899 / % possible obs: 99 % / Redundancy: 54.9 % / Biso Wilson estimate: 140.9 Å2 / Net I/σ(I): 2.41

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Processing

Software
NameVersionClassification
PHENIX(dev_2356: ???)refinement
CrystFELdata reduction
CrystFELdata scaling
Cootmodel building
RefinementResolution: 3.8→40.611 Å / SU ML: 0.75 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 32.45
RfactorNum. reflection% reflection
Rfree0.2706 2493 2.01 %
Rwork0.2179 --
obs0.219 123899 98.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.8→40.611 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms31625 0 9 0 31634
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00332198
X-RAY DIFFRACTIONf_angle_d0.61643479
X-RAY DIFFRACTIONf_dihedral_angle_d18.0712257
X-RAY DIFFRACTIONf_chiral_restr0.0434882
X-RAY DIFFRACTIONf_plane_restr0.0045654
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.8-3.87310.42221400.39146080X-RAY DIFFRACTION90
3.8731-3.9520.43331000.37956383X-RAY DIFFRACTION94
3.952-4.03790.39211330.36596614X-RAY DIFFRACTION98
4.0379-4.13170.36261600.34746685X-RAY DIFFRACTION99
4.1317-4.2350.36261200.3266770X-RAY DIFFRACTION99
4.235-4.34930.37811440.30456700X-RAY DIFFRACTION100
4.3493-4.47720.27081160.27246827X-RAY DIFFRACTION100
4.4772-4.62150.30271510.26936758X-RAY DIFFRACTION100
4.6215-4.78640.31781560.25766769X-RAY DIFFRACTION100
4.7864-4.97770.31561550.25196778X-RAY DIFFRACTION100
4.9777-5.20380.29471450.25326794X-RAY DIFFRACTION100
5.2038-5.47760.29231340.24316812X-RAY DIFFRACTION100
5.4776-5.81990.29281500.23416815X-RAY DIFFRACTION100
5.8199-6.26770.2791290.22036829X-RAY DIFFRACTION100
6.2677-6.89570.24461550.19776845X-RAY DIFFRACTION100
6.8957-7.88720.24261370.16626883X-RAY DIFFRACTION100
7.8872-9.91310.17621460.13696927X-RAY DIFFRACTION100
9.9131-40.61290.21281220.14837137X-RAY DIFFRACTION100
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.4648-0.5850.30571.20741.19834.0391-0.14260.5946-0.5685-0.1481-0.2576-0.04030.2352-0.3238-01.1388-0.04650.12811.4913-0.01221.071399.281632.3005-38.59
2-0.2137-0.58660.9160.8892-0.7324-0.1913-0.36410.1236-0.2452-0.02920.13520.0629-0.5837-0.0589-0.00011.51520.24040.01541.72030.35241.578697.899369.1884-46.6354
30.73770.79320.16470.7220.69151.3751-0.20550.3526-0.33510.45970.35370.70880.3665-0.645-0.00020.9025-0.0393-0.0621.65010.24091.239184.081844.8068-33.2941
41.00922.0395-0.89691.0196-1.2111.63460.50590.20840.49450.04670.3429-0.9740.1346-0.44540.30740.8834-0.01570.20970.80210.26540.1202117.231231.1112-7.3468
51.234-0.39310.46820.21230.16160.39650.18410.04990.8555-0.1737-0.08720.08680.51390.0155-00.9285-0.0036-0.06910.85820.17720.7619119.379712.1864-13.6064
61.39941.03220.59340.73740.86411.88910.36650.0651.63610.0803-0.13030.2232-0.05970.25550.01040.84760.12380.07460.69020.18360.4825119.97936.72491.6007
70.03040.37272.4099-0.48280.74391.06350.10590.25130.01810.1490.0005-0.20770.47130.08790.00180.8623-0.08790.06170.80360.10590.6345126.783243.73786.3211
80.6613-0.5920.06840.8955-0.87781.4421-0.09890.0653-0.60210.7595-0.257-0.5775-0.1627-0.110601.2283-0.0853-0.33961.1005-0.04051.3893141.996845.506624.4351
93.15990.13551.53220.3101-0.63131.8195-0.0394-0.05460.15220.153-0.26570.11250.02580.0087-00.998-0.0611-0.02770.66030.04130.7549127.003651.203221.8381
100.19520.6626-1.3932.009-1.18470.5254-0.3265-0.02331.0180.60470.1437-0.4445-0.71790.1441-01.51430.0454-0.37761.0048-0.32781.2597110.147675.287525.5253
110.9367-0.2233-0.90480.84440.71720.8108-0.15480.18440.35960.0642-0.1015-0.030.09360.0431-00.86780.01420.03540.8510.03271.0026114.631566.47757.1122
121.47630.79471.58030.39230.62680.95460.1979-0.75180.26140.6120.0340.5104-0.0087-0.22190.00010.7924-0.07060.02651.0017-0.08531.1093156.214870.82273.5878
130.71291.55182.1198-0.66240.6560.40590.329-0.01730.30760.086-0.3809-0.57170.49530.2897-0.01560.9903-0.01310.0331.1612-0.04361.1712152.442662.7185-5.307
140.5105-0.86350.55120.4422-0.80512.09390.1855-0.33030.45980.1361-0.1248-0.21140.0131-0.1894-0.00010.4361-0.03430.09320.7761-0.0351.3415114.338980.842-0.867
150.63060.03811.1041-0.18880.12840.7444-0.0974-0.37610.6954-0.11020.42421.1914-0.3306-0.2401.26960.0729-0.03411.169-0.00041.876691.9053118.93270.1099
160.881-1.010.92612.34910.14511.0471-0.42660.02142.8742-1.083-0.704-1.5375-0.40830.4556-0.17161.24360.0771-0.18281.3521-0.1482.132697.4819115.4268-2.4421
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1035.0482-1.2539-1.68531.60031.09986.8854-0.72220.3981-0.56330.6296-1.204-0.30360.418-0.4895-2.82140.46550.2650.09051.10510.52011.972771.488119.2071-8.4339
1040.13270.00580.15780.0142-0.00130.0841-0.2385-1.13112.6792-0.6221-0.2078-1.4034-1.2916-0.820401.2596-0.01470.10331.2285-0.17172.194364.2235110.3418-8.2831
1050.05990.0852-0.01360.0924-0.03320.0169-0.6409-0.93830.9142-0.07140.43660.3634-0.5123-0.5035-0.00011.01890.05810.28921.315-0.1481.28168.9863115.8581-0.1713
1060.05420.12770.12630.22150.21870.18011.56690.52320.59951.12120.3357-0.4141-0.20870.0391-01.47710.1631-0.17271.4319-0.11.617784.4737103.79414.5037
107-0.0308-0.0132-0.01380.0397-0.07190.0829-0.23420.095-0.4518-0.24620.80610.4742-0.35740.036101.70860.18460.59191.2572-0.06891.515176.368491.117521.9227
1080.7264-0.1470.05380.00420.0229-0.0328-0.7671-0.1467-1.08520.63260.70561.32-0.95131.73770.01781.90010.10420.48551.4064-0.14331.455482.336991.140433.5756
1090.24680.4128-0.33170.4044-0.30090.2221-0.7750.51990.3405-0.0899-0.8092-0.3232-0.8118-0.593801.87620.19650.10311.3460.00421.83986.774393.7722.7898
1100.0602-0.01830.06450.0071-0.01240.0539-0.11560.14040.87670.16491.64030.98060.97180.10430.00012.49050.21730.8261.61520.41923.529486.9502103.220322.4717
1110.0715-0.0441-0.11330.0028-0.00160.17380.21960.52780.4059-0.9237-0.40270.4056-0.4994-0.18930.00011.3889-0.0564-0.2161.0593-0.19490.742595.658922.280331.2264
1120.0043-0.0063-0.0291-0.00050.02540.0595-0.2304-0.12430.0939-1.1265-1.3055-0.9428-0.68051.71620.00011.9479-0.22430.00111.23880.09331.2261102.126223.151535.4213
1130.1083-0.58030.04552.8071-0.29690.0140.99230.05290.1494-1.2680.27321.81361.5821-0.3048-0.00212.2046-0.03260.59451.74230.1451.0989.621423.225940.9778
1140.0187-0.0342-0.02320.0280.03420.0168-0.13150.35-0.85370.45960.0729-0.0244-0.2304-0.403401.7033-0.03990.69061.7013-0.10031.178584.079326.893747.6897
1150.43160.56820.05760.75570.06740.00730.3388-0.20430.97960.95040.29950.07470.84242.50350.04771.5353-0.13631.04472.7702-0.7470.82290.98732.284847.8862
1160.0698-0.17660.00980.5873-0.31150.25471.2139-0.00672.1601-0.3013-0.4658-0.83340.79460.5152-0.01291.9033-0.1244-0.00892.0518-0.38051.2472100.818628.526544.575
1170.092-0.02720.05470.02290.00620.0351-0.8592-0.3440.4327-1.10591.1498-0.28940.17560.6826-0.00011.6882-0.08290.01291.44360.0691.694299.454230.135237.3154
1180.08030.065-0.05980.0485-0.02170.08260.45760.3220.66120.5632-0.1893-0.997-0.45430.958501.92670.05440.03781.4302-0.16351.102990.503530.384433.1396
1190.18620.08990.10730.63370.24220.1224-0.2470.1987-0.4074-0.75770.0338-0.8270.2588-0.70360.00191.8185-0.60310.46411.70570.09260.383582.039525.379127.0393
1200.90870.09870.26890.16840.18150.26420.529-0.8358-1.88490.82011.66640.5279-1.2503-2.40340.12811.5137-0.24730.55461.68340.37791.677875.083521.091322.6437
1210.1055-0.0843-0.093-0.00880.0370.08930.19161.3085-0.70670.8088-0.7511-0.25180.16910.8194-01.55330.0750.12511.47580.08990.9491115.88815.652615.7324
122-0.0036-0.0150.00310.0071-0.0141-0.01640.4985-0.7142-1.57730.75760.86321.56942.4732-1.2693-01.1383-0.1421-0.2141.75590.0331.2049130.313410.559815.5754
1231.51650.35021.08122.74560.49096.9878-0.5687-0.0343-0.2793-0.6559-2.1949-0.12010.3821-0.2026-6.62311.3042-0.08280.37210.48490.9189-1.3927139.179519.425119.343
1240.01520.08480.07290.22390.30160.3155-0.0344-0.1906-0.43971.78481.0135-0.1118-1.04981.02370.00861.45520.2525-0.19590.80110.23390.486132.749621.386431.7089
125-0.006-0.00230.00020.0191-0.04970.02490.6405-1.8234-1.128-0.3143-0.56710.30270.8683-0.2208-01.65110.14550.05061.76360.07361.6809146.387122.603734.9289
1260.2499-0.781-0.48332.21421.33192.7398-0.43840.6415-0.3471.5991-0.7537-0.56450.3201-1.1225-1.54071.6960.2906-0.72871.14930.32960.3873130.949626.321220.9184
1270.10930.1991-0.08660.1631-0.11790.03470.87360.3165-0.028-1.2572-0.8784-0.3281.55071.27110.00121.24620.21230.11631.33020.18261.119134.669521.943420.8337
1280.3270.2841-0.13751.35040.07970.11151.1521-1.18540.79081.5663-0.1401-3.0368-0.61720.14360.01261.37410.2736-0.1791.65120.06581.1098147.000215.088429.2255
1290.0167-0.0030.016-0.0101-0.00140.0046-0.3891-0.0587-0.7170.1092-0.7938-0.13340.1168-0.265802.02170.1210.09691.48740.13210.9845134.245912.045239.3026
1300.11060.0193-0.08050.2524-0.14260.0820.321-0.52661.29710.7599-1.056-0.85921.6583-0.742801.7504-0.1217-0.18742.23850.33171.1587120.541610.838252.5386
1310.0444-0.02360.58340.0067-0.27247.1868-1.15251.41611.2820.1499-0.7734-0.1008-0.43091.6959-1.65991.29110.44230.60650.54872.79392.508675.46194.31916.9839
1320.5202-0.29450.54340.99190.04920.722-0.62980.6068-0.1911-0.1233-1.3658-0.82540.96791.4949-0.12942.4057-1.33841.26992.7386-0.82172.393270.391313.734512.9703
1330.07630.1069-0.01990.4678-0.02380.00680.8952-0.202-0.03140.124-0.86450.7673-0.75891.30030.00141.6851-0.2865-0.52972.0630.12470.7471.34226.55950.4415
1340.0725-0.06820.0070.04270.01650.0433-0.0622-0.0051-1.33951.4717-1.76452.3149-0.1268-1.5455-0.00061.2156-0.52840.34242.1305-0.4161.98964.668113.0455.5437
1350.7453-0.568-0.29950.6674-0.36171.58880.1960.07470.17630.405-0.25450.4698-0.6932-0.7358-0.10911.1116-0.16610.53071.2828-0.79522.571968.22918.3016.3257
1360.5693-0.00420.56230.58170.90131.80070.8177-0.3210.0983-0.29452.18150.38790.11220.8250.16171.9162-0.3344-0.28011.13230.23021.163285.42077.09219.8981
1370.0251-0.01270.02360.05360.03820.0156-0.0875-0.7152-0.71090.43960.2216-1.40390.17270.4570.00011.73610.1067-0.07951.35880.27181.1396100.575511.505117.9905
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 3:83)
2X-RAY DIFFRACTION2(chain A and resid 84:240)
3X-RAY DIFFRACTION3(chain A and resid 241:327)
4X-RAY DIFFRACTION4(chain A and resid 328:391)
5X-RAY DIFFRACTION5(chain A and resid 392:432)
6X-RAY DIFFRACTION6(chain A and resid 433:482)
7X-RAY DIFFRACTION7(chain A and resid 483:541)
8X-RAY DIFFRACTION8(chain A and resid 542:613)
9X-RAY DIFFRACTION9(chain A and resid 614:684)
10X-RAY DIFFRACTION10(chain A and resid 685:755)
11X-RAY DIFFRACTION11(chain A and resid 756:900)
12X-RAY DIFFRACTION12(chain A and resid 901:975)
13X-RAY DIFFRACTION13(chain A and resid 976:1063)
14X-RAY DIFFRACTION14(chain A and resid 1064:1144)
15X-RAY DIFFRACTION15(chain A and resid 1145:1207)
16X-RAY DIFFRACTION16(chain A and resid 1208:1243)
17X-RAY DIFFRACTION17(chain A and resid 1244:1265)
18X-RAY DIFFRACTION18(chain A and resid 1266:1313)
19X-RAY DIFFRACTION19(chain A and resid 1314:1387)
20X-RAY DIFFRACTION20(chain A and resid 1388:1455)
21X-RAY DIFFRACTION21(chain B and resid 20:53)
22X-RAY DIFFRACTION22(chain B and resid 54:118)
23X-RAY DIFFRACTION23(chain B and resid 119:170)
24X-RAY DIFFRACTION24(chain B and resid 171:225)
25X-RAY DIFFRACTION25(chain B and resid 226:252)
26X-RAY DIFFRACTION26(chain B and resid 253:323)
27X-RAY DIFFRACTION27(chain B and resid 324:355)
28X-RAY DIFFRACTION28(chain B and resid 356:409)
29X-RAY DIFFRACTION29(chain B and resid 410:467)
30X-RAY DIFFRACTION30(chain B and resid 468:484)
31X-RAY DIFFRACTION31(chain B and resid 485:510)
32X-RAY DIFFRACTION32(chain B and resid 511:643)
33X-RAY DIFFRACTION33(chain B and resid 644:707)
34X-RAY DIFFRACTION34(chain B and resid 708:723)
35X-RAY DIFFRACTION35(chain B and resid 724:738)
36X-RAY DIFFRACTION36(chain B and resid 739:861)
37X-RAY DIFFRACTION37(chain B and resid 862:969)
38X-RAY DIFFRACTION38(chain B and resid 970:1102)
39X-RAY DIFFRACTION39(chain B and resid 1103:1134)
40X-RAY DIFFRACTION40(chain B and resid 1135:1224)
41X-RAY DIFFRACTION41(chain C and resid 3:45)
42X-RAY DIFFRACTION42(chain C and resid 46:70)
43X-RAY DIFFRACTION43(chain C and resid 71:79)
44X-RAY DIFFRACTION44(chain C and resid 80:96)
45X-RAY DIFFRACTION45(chain C and resid 97:107)
46X-RAY DIFFRACTION46(chain C and resid 108:158)
47X-RAY DIFFRACTION47(chain C and resid 159:185)
48X-RAY DIFFRACTION48(chain C and resid 186:223)
49X-RAY DIFFRACTION49(chain C and resid 224:246)
50X-RAY DIFFRACTION50(chain C and resid 247:268)
51X-RAY DIFFRACTION51(chain D and resid 3:21)
52X-RAY DIFFRACTION52(chain D and resid 22:33)
53X-RAY DIFFRACTION53(chain D and resid 34:44)
54X-RAY DIFFRACTION54(chain D and resid 45:64)
55X-RAY DIFFRACTION55(chain D and resid 65:74)
56X-RAY DIFFRACTION56(chain D and resid 75:130)
57X-RAY DIFFRACTION57(chain D and resid 131:145)
58X-RAY DIFFRACTION58(chain D and resid 146:163)
59X-RAY DIFFRACTION59(chain D and resid 164:189)
60X-RAY DIFFRACTION60(chain D and resid 190:221)
61X-RAY DIFFRACTION61(chain E and resid 1:14)
62X-RAY DIFFRACTION62(chain E and resid 15:41)
63X-RAY DIFFRACTION63(chain E and resid 42:77)
64X-RAY DIFFRACTION64(chain E and resid 78:105)
65X-RAY DIFFRACTION65(chain E and resid 106:125)
66X-RAY DIFFRACTION66(chain E and resid 126:148)
67X-RAY DIFFRACTION67(chain E and resid 149:158)
68X-RAY DIFFRACTION68(chain E and resid 159:183)
69X-RAY DIFFRACTION69(chain E and resid 184:202)
70X-RAY DIFFRACTION70(chain E and resid 203:215)
71X-RAY DIFFRACTION71(chain F and resid 69:73)
72X-RAY DIFFRACTION72(chain F and resid 74:84)
73X-RAY DIFFRACTION73(chain F and resid 85:93)
74X-RAY DIFFRACTION74(chain F and resid 94:106)
75X-RAY DIFFRACTION75(chain F and resid 107:113)
76X-RAY DIFFRACTION76(chain F and resid 114:122)
77X-RAY DIFFRACTION77(chain F and resid 123:132)
78X-RAY DIFFRACTION78(chain F and resid 133:143)
79X-RAY DIFFRACTION79(chain F and resid 144:150)
80X-RAY DIFFRACTION80(chain F and resid 151:155)
81X-RAY DIFFRACTION81(chain G and resid 1:6)
82X-RAY DIFFRACTION82(chain G and resid 7:21)
83X-RAY DIFFRACTION83(chain G and resid 22:57)
84X-RAY DIFFRACTION84(chain G and resid 58:79)
85X-RAY DIFFRACTION85(chain G and resid 80:97)
86X-RAY DIFFRACTION86(chain G and resid 98:116)
87X-RAY DIFFRACTION87(chain G and resid 117:128)
88X-RAY DIFFRACTION88(chain G and resid 129:149)
89X-RAY DIFFRACTION89(chain G and resid 150:159)
90X-RAY DIFFRACTION90(chain G and resid 160:171)
91X-RAY DIFFRACTION91(chain H and resid 2:14)
92X-RAY DIFFRACTION92(chain H and resid 15:27)
93X-RAY DIFFRACTION93(chain H and resid 28:38)
94X-RAY DIFFRACTION94(chain H and resid 39:67)
95X-RAY DIFFRACTION95(chain H and resid 76:91)
96X-RAY DIFFRACTION96(chain H and resid 92:108)
97X-RAY DIFFRACTION97(chain H and resid 109:121)
98X-RAY DIFFRACTION98(chain H and resid 122:131)
99X-RAY DIFFRACTION99(chain H and resid 132:139)
100X-RAY DIFFRACTION100(chain H and resid 140:146)
101X-RAY DIFFRACTION101(chain I and resid 2:6)
102X-RAY DIFFRACTION102(chain I and resid 7:14)
103X-RAY DIFFRACTION103(chain I and resid 15:25)
104X-RAY DIFFRACTION104(chain I and resid 26:34)
105X-RAY DIFFRACTION105(chain I and resid 35:41)
106X-RAY DIFFRACTION106(chain I and resid 42:51)
107X-RAY DIFFRACTION107(chain I and resid 52:64)
108X-RAY DIFFRACTION108(chain I and resid 65:86)
109X-RAY DIFFRACTION109(chain I and resid 87:115)
110X-RAY DIFFRACTION110(chain I and resid 116:120)
111X-RAY DIFFRACTION111(chain J and resid 1:7)
112X-RAY DIFFRACTION112(chain J and resid 8:15)
113X-RAY DIFFRACTION113(chain J and resid 16:22)
114X-RAY DIFFRACTION114(chain J and resid 23:28)
115X-RAY DIFFRACTION115(chain J and resid 29:37)
116X-RAY DIFFRACTION116(chain J and resid 38:44)
117X-RAY DIFFRACTION117(chain J and resid 45:50)
118X-RAY DIFFRACTION118(chain J and resid 51:55)
119X-RAY DIFFRACTION119(chain J and resid 56:60)
120X-RAY DIFFRACTION120(chain J and resid 61:65)
121X-RAY DIFFRACTION121(chain K and resid 1:12)
122X-RAY DIFFRACTION122(chain K and resid 13:20)
123X-RAY DIFFRACTION123(chain K and resid 21:39)
124X-RAY DIFFRACTION124(chain K and resid 40:50)
125X-RAY DIFFRACTION125(chain K and resid 51:57)
126X-RAY DIFFRACTION126(chain K and resid 58:67)
127X-RAY DIFFRACTION127(chain K and resid 68:76)
128X-RAY DIFFRACTION128(chain K and resid 77:90)
129X-RAY DIFFRACTION129(chain K and resid 91:99)
130X-RAY DIFFRACTION130(chain K and resid 100:115)
131X-RAY DIFFRACTION131(chain L and resid 25:29)
132X-RAY DIFFRACTION132(chain L and resid 30:36)
133X-RAY DIFFRACTION133(chain L and resid 37:44)
134X-RAY DIFFRACTION134(chain L and resid 45:51)
135X-RAY DIFFRACTION135(chain L and resid 52:56)
136X-RAY DIFFRACTION136(chain L and resid 57:65)
137X-RAY DIFFRACTION137(chain L and resid 66:70)

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