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- PDB-5w51: Pol II elongation complex with an N6-methyladenine-containing tem... -

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Basic information

Entry
Database: PDB / ID: 5w51
TitlePol II elongation complex with an N6-methyladenine-containing template and a matched UMPNPP
Components
  • (DNA-directed RNA polymerase II subunit ...) x 5
  • (DNA-directed RNA polymerases I, II, and III subunit ...) x 5
  • 14mer non-template DNA
  • 29mer template DNA
  • 9mer RNA
KeywordsDNA BINDING PROTEIN/RNA/DNA / Complex / DNA BINDING PROTEIN / DNA BINDING PROTEIN-RNA-DNA complex
Function / homology
Function and homology information


RNA Polymerase I Transcription Initiation / Processing of Capped Intron-Containing Pre-mRNA / RNA Polymerase III Transcription Initiation From Type 2 Promoter / RNA Pol II CTD phosphorylation and interaction with CE / Formation of the Early Elongation Complex / mRNA Capping / RNA polymerase II transcribes snRNA genes / termination of RNA polymerase II transcription / TP53 Regulates Transcription of DNA Repair Genes / 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 / termination of RNA polymerase II transcription / 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 III transcription / RNA Polymerase II Pre-transcription Events / RNA-templated transcription / Formation of TC-NER Pre-Incision Complex / transcription initiation at RNA polymerase III promoter / RNA Polymerase I Promoter Escape / termination of RNA polymerase I transcription / 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 / Estrogen-dependent gene expression / maintenance of transcriptional fidelity during transcription elongation by RNA polymerase II / transcription by RNA polymerase III / Dual incision in TC-NER / translesion synthesis / RNA polymerase I complex / transcription elongation by RNA polymerase I / RNA polymerase III complex / RNA polymerase II, core complex / tRNA transcription by RNA polymerase III / transcription by RNA polymerase I / transcription-coupled nucleotide-excision repair / transcription initiation at RNA polymerase II promoter / transcription elongation by RNA polymerase II / ribonucleoside binding / DNA-directed RNA polymerase / cytoplasmic stress granule / DNA-directed RNA polymerase activity / peroxisome / ribosome biogenesis / nucleic acid binding / transcription by RNA polymerase II / protein dimerization activity / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / metal ion binding / nucleus / cytoplasm
Similarity search - Function
Dna-directed Rna Polymerases I, Ii, And Iii 27 Kd Polypeptide; Chain: A; domain 1 / RNA polymerase, Rpb5, N-terminal domain / RNA polymerase ii, chain L / Gyrase A; domain 2 - #140 / RPB5-like RNA polymerase subunit / N-terminal domain of TfIIb - #10 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / RNA polymerase Rpb1, domain 3 / RNA polymerase, RBP11-like subunit ...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 / Gyrase A; domain 2 - #140 / RPB5-like RNA polymerase subunit / N-terminal domain of TfIIb - #10 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / RNA polymerase Rpb1, domain 3 / RNA polymerase, RBP11-like subunit / Enzyme I; Chain A, domain 2 / N-terminal domain of TfIIb / Rubrerythrin, domain 2 / DNA-directed RNA polymerase, insert domain / RNA Polymerase Alpha Subunit; Chain A, domain 2 / RNA polymerase Rpb1 C-terminal repeat / RNA polymerase II, heptapeptide repeat, eukaryotic / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / Gyrase A; domain 2 / 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 / Homeodomain-like / Zinc finger TFIIS-type signature. / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 4 / DNA-directed RNA polymerase, M/15kDa subunit / RNA polymerases M/15 Kd subunit / RNA polymerase subunit 9 / DNA-directed RNA polymerase M, 15kDa subunit, conserved site / RNA polymerases M / 15 Kd subunits signature. / DNA-directed RNA polymerase subunit/transcription factor S / : / RNA polymerase, Rpb8 / DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase Rpb8 / RNA polymerase subunit 8 / RNA polymerase, Rpb5, N-terminal / RNA polymerase Rpb5, N-terminal domain superfamily / RNA polymerase Rpb5, N-terminal domain / DNA-directed RNA polymerase, subunit RPB6 / DNA-directed RNA polymerase subunit 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, 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. / RNA polymerase subunit RPABC4/transcription elongation factor Spt4 / Zinc finger, TFIIS-type / 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 / DNA-directed RNA polymerase subunit Rpo5/Rpb5 / 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. / Single Sheet / Nucleic acid-binding proteins / Beta Complex / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 3 superfamily / RPB6/omega subunit-like superfamily / 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 / RNA polymerase Rpb1, clamp domain superfamily / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / RNA polymerase, alpha subunit
Similarity search - Domain/homology
Chem-2KH / 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-2KH / 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)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.404 Å
AuthorsWang, W. / Wang, D.
CitationJournal: J.Am.Chem.Soc. / Year: 2017
Title: Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
Authors: Wang, W. / Xu, L. / Hu, L. / Chong, J. / He, C. / Wang, D.
History
DepositionJun 13, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 20, 2018Provider: repository / Type: Initial release
Revision 1.1Jul 3, 2019Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_conn_type
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_alt_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_alt_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_ptnr2_label_alt_id / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
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
T: 29mer template DNA
N: 14mer non-template DNA
R: 9mer RNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)486,80824
Polymers485,75313
Non-polymers1,05511
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area65640 Å2
ΔGint-401 kcal/mol
Surface area141210 Å2
Unit cell
Length a, b, c (Å)168.700, 224.000, 193.060
Angle α, β, γ (deg.)90.00, 101.04, 90.00
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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DNA chain , 2 types, 2 molecules TN

#11: DNA chain 29mer template DNA


Mass: 8865.777 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Saccharomyces cerevisiae (brewer's yeast)
#12: DNA chain 14mer non-template DNA


Mass: 4286.789 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Saccharomyces cerevisiae (brewer's yeast)

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RNA chain , 1 types, 1 molecules R

#13: RNA chain 9mer RNA


Mass: 2974.854 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Saccharomyces cerevisiae (brewer's yeast)

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Non-polymers , 3 types, 11 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.: 2 / Source method: obtained synthetically / Formula: Mg
#16: Chemical ChemComp-2KH / 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine


Mass: 483.156 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C9H16N3O14P3

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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: 3.69 Å3/Da / Density % sol: 66.62 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 390mM (NH4)2HPO4/NaH2PO4, pH 6.5, 50mM dioxane, 10mM DTT, 10-12.5% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL7-1 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 2, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.4→96.4 Å / Num. obs: 96143 / % possible obs: 99.6 % / Redundancy: 3.7 % / Net I/σ(I): 1.3

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Processing

Software
NameVersionClassification
PHENIX1.8.4_1496refinement
MOSFLMdata reduction
SCALAdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2NVZ

2nvz


Resolution: 3.404→82.789 Å / SU ML: 0.42 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.35
RfactorNum. reflection% reflection
Rfree0.2539 4062 4.85 %
Rwork0.227 --
obs0.2283 83721 87.1 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.404→82.789 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27742 1070 39 0 28851
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00229509
X-RAY DIFFRACTIONf_angle_d0.53640084
X-RAY DIFFRACTIONf_dihedral_angle_d12.36211285
X-RAY DIFFRACTIONf_chiral_restr0.0214503
X-RAY DIFFRACTIONf_plane_restr0.0024991
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.4044-3.44450.393680.3169213X-RAY DIFFRACTION7
3.4445-3.48650.2641350.309611X-RAY DIFFRACTION20
3.4865-3.53060.3654640.30091235X-RAY DIFFRACTION40
3.5306-3.57710.2882890.30951672X-RAY DIFFRACTION53
3.5771-3.62610.33211000.30322019X-RAY DIFFRACTION65
3.6261-3.67790.3221410.29972349X-RAY DIFFRACTION74
3.6779-3.73280.31971160.29762662X-RAY DIFFRACTION84
3.7328-3.79110.32581570.28522947X-RAY DIFFRACTION94
3.7911-3.85330.28821610.2843101X-RAY DIFFRACTION100
3.8533-3.91970.32021420.28273160X-RAY DIFFRACTION100
3.9197-3.9910.29261630.26883134X-RAY DIFFRACTION100
3.991-4.06770.28531620.25253095X-RAY DIFFRACTION99
4.0677-4.15080.27531310.24833150X-RAY DIFFRACTION100
4.1508-4.2410.26471680.24233179X-RAY DIFFRACTION100
4.241-4.33970.28391660.22413129X-RAY DIFFRACTION100
4.3397-4.44820.2551640.20873103X-RAY DIFFRACTION100
4.4482-4.56840.23721440.20633195X-RAY DIFFRACTION100
4.5684-4.70290.24541520.19563168X-RAY DIFFRACTION100
4.7029-4.85460.22231670.19663126X-RAY DIFFRACTION100
4.8546-5.02810.21461370.20193177X-RAY DIFFRACTION100
5.0281-5.22940.21771620.20583145X-RAY DIFFRACTION100
5.2294-5.46740.25741870.21263116X-RAY DIFFRACTION100
5.4674-5.75560.22611670.21713141X-RAY DIFFRACTION100
5.7556-6.11610.26671870.21683127X-RAY DIFFRACTION100
6.1161-6.58810.241550.23443137X-RAY DIFFRACTION99
6.5881-7.25070.26211420.21253142X-RAY DIFFRACTION99
7.2507-8.29910.19071540.18233102X-RAY DIFFRACTION98
8.2991-10.45270.16871790.15833156X-RAY DIFFRACTION100
10.4527-82.81340.23271620.1973168X-RAY DIFFRACTION98
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)
11.90290.17360.34261.81170.65151.6389-0.01220.00910.45220.0630.0421-0.8958-0.5311.173-0.07870.5364-0.2674-0.09641.42180.18311.4967821.136110.5113418.909
21.58190.1379-0.17621.0427-0.06291.38370.13780.2211-0.0347-0.0339-0.1301-0.28170.1770.1611-0.02110.3077-0.0583-0.17410.08060.03270.1975777.8658-15.0931411.7182
30.4711-0.0645-0.2351.18980.31470.50350.1754-0.401-0.09530.5459-0.0082-0.01390.4912-0.08040.07010.6264-0.2294-0.08710.39630.22620.2675761.8246-17.1306443.9199
40.23880.0602-0.01330.42910.11950.28910.1999-0.1387-0.28740.45960.0937-0.19230.3573-0.03820.1460.604-0.1227-0.15630.24930.26090.3561777.5226-19.1563446.0472
50.25660.0482-0.06791.5497-0.19870.10820.0451-0.07820.00140.4290.19480.21380.3479-0.102-0.04560.9180.0631-0.47730.28850.15340.6019787.2865-29.1286447.4525
60.42650.02120.04622.92181.56591.34350.1813-0.3310.08470.97880.1855-0.06680.0826-0.0313-0.31451.40530.0813-0.35710.52680.01910.7835793.95582.357478.8507
71.7793-0.50360.36430.7239-0.62962.54390.03040.20240.34650.08170.0072-0.3715-0.0140.46170.19980.49340.0969-0.37670.36960.06530.7223801.5163-12.9647431.6295
81.32430.37340.35771.2503-0.28641.00360.01850.13360.5411-0.1327-0.0026-0.0367-0.45950.1742-0.00840.4748-0.11360.22540.1660.1420.4022767.544140.5667419.7329
91.36590.01061.83451.31271.17953.5462-0.1101-0.05940.21080.43290.3069-0.7151-0.15080.4945-0.18860.5745-0.19340.03510.3798-0.05050.6756791.847835.0922453.9385
100.7451-0.03230.0220.99830.20910.4641-0.00280.15710.27110.06240.0026-0.4423-0.37520.4430.06290.3833-0.20110.17430.26480.15730.4289778.438731.6154427.7276
112.57590.5695-0.19991.93370.06330.99410.1735-0.37330.36580.5343-0.05790.1116-0.2221-0.4163-0.10550.4330.06370.22930.36410.02010.2689759.603234.9135450.155
120.427-0.00070.24141.18620.21830.88810.14980.27230.1699-0.34180.0048-0.1807-0.16010.27480.02470.1937-0.04560.24610.45670.25110.1063766.743813.7767405.9126
130.24120.09420.36340.9433-0.01080.84030.07250.19530.04180.2596-0.0707-0.3380.14630.30530.02140.153-0.17840.01760.20210.22160.1175775.8968-3.4933416.4572
142.0848-0.03590.50182.4621-2.58132.810.12180.0538-0.1427-0.1820.13940.35170.15110.0249-0.27690.3611-0.2983-0.14340.99330.10430.507725.197-16.5244408.7355
150.6525-0.17220.09530.20890.05180.9303-0.0921-0.0712-0.325-0.49740.18470.04740.6297-0.2199-0.10850.3544-0.215-0.09860.54740.18450.273742.1074-9.4654400.5786
161.1932-1.0284-0.32141.3891-0.08480.5547-0.05280.3923-0.2042-0.18160.08720.10240.0772-0.3956-0.10570.132-0.0112-0.07230.55790.06550.2863745.22943.6476389.4988
171.5360.3995-0.20841.1826-0.82281.9672-0.03730.34220.3953-0.5678-0.10060.6299-0.4737-0.52130.08210.35130.1391-0.00510.71830.11360.5765738.911922.8193396.6797
180.2178-0.36880.16820.8143-0.07240.81040.1240.0639-0.17450.1046-0.06760.36030.2006-0.5896-0.27580.2409-0.2079-0.09340.64880.19540.3078735.9792-6.4899411.3978
191.11640.01170.7712.1204-0.28250.58270.09390.259-0.1051-0.50960.12790.15780.1687-0.1451-0.22090.4794-0.2703-0.22790.5752-0.07540.578737.7758-19.3529398.1908
202.49860.02812.09731.3678-0.88682.367-0.6182-0.75330.73610.86860.2535-0.2148-0.7143-0.66810.46261.42720.2396-0.78040.6269-0.18411.0905808.4672-19.056475.1173
217.8325-5.2803-4.00653.61832.99813.5685-0.7073-0.7036-0.56551.00880.63930.29230.53210.12930.05261.6120.2851-0.63530.6561-0.03081.1081811.6479-31.7373473.008
223.1721-0.3425-2.21640.7395-0.06521.9115-0.6141-1.55810.67740.95360.0947-0.4099-1.13110.33710.51782.15090.6081-1.04151.5086-0.31771.6599813.0363-18.9536486.5367
233.0011-0.56360.89971.47730.35372.5593-0.2549-0.81760.68010.38470.2694-0.30750.07530.3537-0.05550.98550.3273-0.63211.2675-0.23961.3267821.6063-24.6501468.392
241.83271.3555-0.55291.0036-0.40610.1734-0.093-0.21540.29480.1019-0.0445-0.165-0.32550.14260.13021.0828-0.0543-0.65071.9327-0.39342.3354830.9756-13.5578470.2592
251.4148-1.4933-1.2841.61541.09672.67640.0447-0.31760.70520.44680.4874-1.01170.04250.809-0.29190.94710.1633-0.56990.701-0.12661.1468816.8026-19.0942459.2851
261.1394-0.46170.56670.5236-0.18032.20830.07020.37310.2259-0.0578-0.231-0.17810.08030.52480.17310.80410.1162-0.59190.48670.0750.9967814.205-20.6288447.2723
277.7984-1.24751.21340.56480.21813.0634-0.2451-0.35260.32650.47310.1606-0.188-0.60960.10740.12730.86930.0649-0.36570.32280.06370.5854803.4877-26.6331447.1903
281.33931.937-0.76374.594-0.84872.7061-0.1144-1.2407-0.63030.92060.1705-1.24460.60711.0105-0.03181.09850.1634-0.44730.84320.0030.771806.1452-38.4949423.0004
292.06950.52281.40490.7763-0.05744.8589-0.02240.12430.01170.1079-0.0971-0.54380.47070.32430.09340.640.0775-0.17390.43870.1150.4651794.3576-29.6059409.8107
301.39751.18531.43481.64122.03082.51610.27030.7197-0.2911-0.4339-0.11320.06150.2159-0.2321-0.12070.65110.1698-0.19760.78330.08040.8899789.0778-36.4054398.7084
315.2239-1.77690.85325.0276-1.60976.3388-0.19010.1203-0.5393-0.2004-0.0403-0.01250.39730.09330.22330.66450.0542-0.0330.35350.03820.34795.2804-35.9869409.8455
327.95425.6323-5.99473.9986-4.14555.4611-0.0164-0.5957-1.25840.015-0.1544-1.5918-0.07451.90710.16930.304-0.1044-0.03750.7189-0.11661.0082811.931-27.9996425.858
335.8213-3.5847-2.32658.12362.45925.8415-0.0479-0.62350.80870.4861-0.07090.137-0.1241-0.08390.11780.70390.34530.26340.66060.00760.8452807.0625-36.328418.9647
345.57684.9898-1.47176.5034-3.91234.24260.40381.5223-0.0776-0.1588-0.34840.6819-0.3658-0.9833-0.05320.61480.1249-0.24480.5361-0.10990.6847795.1791-40.2159417.6294
352.87040.6102-1.81951.0589-1.4432.3536-0.0066-0.2876-0.11090.6849-0.1970.5612-0.090.10780.23221.2017-0.41390.06750.62270.24141.1548742.1232-48.9394444.3505
368.7029-2.26640.75573.60370.59836.5578-0.1511-0.54960.66961.7251-0.6003-0.3926-0.99830.26560.70370.8696-0.3896-0.09060.73490.02390.6272744.1788-34.3798443.8619
372.61931.2484-0.20023.51073.69194.9353-0.0222-0.9792-1.02170.7783-0.1822-0.1060.8401-0.12020.19510.939-0.3481-0.19750.79060.28491.0175744.5972-47.6832447.7985
383.10810.5349-2.01982.988-2.05716.34960.0606-0.7674-0.85570.784-0.33310.48160.4546-0.12060.26330.8618-0.49350.06380.8320.22321.1137735.5806-38.0747441.0535
392.5606-1.9752-2.13731.52421.63472.1571-0.0799-0.0544-0.25910.0866-0.05720.22820.1537-0.07880.08951.1205-0.27530.19650.67890.39821.0019740.625-50.5973439.9593
404.28825.2766-4.77386.8289-6.04365.401-0.0898-0.0245-0.5655-0.55830.01380.43420.4184-0.03520.06061.4407-0.3984-0.3170.6920.21411.0771747.9599-48.8286420.4931
414.35173.3621-6.06243.2144-4.30169.3258-0.34930.9681.1155-1.06050.60460.6274-1.0009-0.3449-0.26461.8194-0.8168-0.13341.20110.0311.8823737.7107-51.7392421.7281
420.0667-0.5084-0.0155.7709-2.21432.8646-0.04390.2144-0.03090.05050.26370.61110.2879-0.5033-0.20720.9902-0.25130.03820.64990.38330.8054742.4553-45.7706432.7322
434.93090.6353-5.18868.0392-0.53595.4621-0.3035-0.9818-1.04490.48030.3050.07421.070.41940.02451.4407-0.0955-0.24610.78320.49551.0394759.2623-48.1218442.652
444.6914-2.4691.56894.4567-0.42042.0003-0.3829-1.1338-1.25051.20880.0421-0.18340.74070.51570.3531.3744-0.2213-0.06850.72920.44391.041755.195-50.2341446.5609
452.9596-2.1134-1.3342.84111.7812.0157-0.1488-0.75-0.80151.0961-0.0039-0.44110.0720.4050.25160.8289-0.3232-0.19710.63570.2860.5678751.1647-44.3979443.2891
465.4141-1.90282.24994.14042.62064.2866-0.21390.688-0.2189-1.05520.28060.05840.9327-0.421-0.06761.6988-0.6177-0.2630.95130.12981.2684754.6281-54.99438.3719
476.18482.6535-1.11555.6546-0.24023.19270.2614-0.159-0.05730.7815-0.0411.14420.7178-1.0864-0.29120.9788-0.38030.13960.63430.28361.1217739.4018-49.0115435.6344
480.82650.3653-0.86956.8008-0.28810.911-0.0744-0.27350.15250.3356-0.00190.024-0.07390.34580.08211.16960.0085-0.13810.6032-0.30040.5628797.681936.2902482.6968
497.9458-1.6066-3.42386.29432.76319.39610.187-0.59960.00830.18140.072-0.3702-0.7057-0.0492-0.24920.4584-0.01460.00930.4886-0.0270.2543765.172824.0049472.4592
501.3414-0.8732-0.60190.69930.02741.92360.0023-0.0248-0.0818-0.0407-0.0843-0.05580.04880.02030.03980.1331-0.03540.14640.2999-0.01140.2009744.09176.808408.251
515.4051-0.9071-3.31662.45081.61254.64460.38570.53070.3131-0.2129-0.1810.0628-0.4093-0.6637-0.18220.4973-0.02280.23720.5335-0.09240.3454736.45756.8538407.1415
524.32061.0601-2.02420.77850.20968.52480.31580.2481.4886-0.0772-0.07890.3414-0.6783-0.8668-0.23140.2220.0810.130.60050.07640.6339733.474518.2611412.4976
538.8039-1.2561-0.34714.59013.87123.32490.13070.49090.0701-0.4911-0.2937-0.40.07310.83150.16570.71890.19570.45620.94740.21220.9602727.593520.0482418.6552
547.3458-5.8484-4.97276.30542.96345.424-0.2927-0.0129-0.13590.25780.01390.87770.2201-0.40.22090.2289-0.00140.15260.7297-0.02380.6056731.60138.0332416.8813
551.54440.15580.09380.28290.15680.6875-0.00240.17140.0931-0.05730.10120.05-0.0504-0.02130.0090.2545-0.12310.20170.35630.06140.2333741.94599.483415.7598
568.66480.56562.29522.5995-0.57612.0096-0.09090.67960.4748-0.86870.0636-0.0513-0.044-0.08740.07750.47550.064-0.18190.43130.04290.4235750.046126.9788405.6398
570.517-0.18110.54090.1504-0.11730.62460.03120.11330.1113-0.013-0.0698-0.0821-0.0318-0.016-0.01460.3366-0.21390.0710.49350.07210.2305759.6573-8.9376398.8531
584.25774.9527-0.29647.8125-2.85925.30060.08010.21040.0629-1.116-0.0679-1.8493-0.21661.8863-0.01420.386-0.06690.09690.72150.08050.5112756.0341-20.2917392.389
596.7354-5.8776.30916.1141-7.09868.5066-0.06780.148-0.0072-0.105-0.2567-0.0220.27610.1470.28311.0344-0.3777-0.16120.79860.00970.4656757.2128-38.9395402.6049
601.6671-0.75520.87644.6789-4.08074.78660.0231-0.1626-0.13750.38460.2556-0.0931-0.196-0.0441-0.14510.6212-0.0408-0.20070.6714-0.03090.2364753.1717-27.7119400.9905
612.93853.58341.02347.44552.75861.2680.0958-0.0441-0.21730.211-0.31970.42360.3323-0.39210.17290.4362-0.2027-0.05950.4174-0.09330.326743.9044-27.4369407.1791
620.90592.76062.55148.58697.52767.54010.10970.7469-1.8586-0.11870.08381.84032.1184-1.4313-0.17670.7918-0.2883-0.06480.6821-0.15470.9804739.2459-40.2764409.1507
631.36161.97970.41383.65160.86040.21360.1578-0.0864-0.46540.05890.0368-0.0930.3707-0.229-0.11490.3422-0.081-0.15930.2181-0.03020.2968754.4876-26.5195408.6806
642.24141.4668-0.25126.15650.68781.1580.04150.2734-0.7076-0.0560.05030.3270.6891-0.5138-0.0050.6714-0.2422-0.280.4685-0.08220.5225750.4588-38.005404.6377
652.36090.1580.50030.6720.1130.80580.30230.5013-0.68520.2318-0.29560.90290.1964-0.43050.11540.3318-0.2563-0.00040.76540.07450.6697730.0827-24.386400.6562
667.09910.37174.00322.89582.27323.73850.36030.96940.6254-0.6748-0.06520.4203-1.509-1.6054-0.26191.4410.1828-0.28491.18210.52471.2028763.017231.9128388.198
674.6414-2.0722-4.04952.98172.94674.16350.23360.28290.2014-0.21040.1567-0.2459-0.2065-0.0087-0.3861.8479-0.49020.3871.54110.23131.5814769.105737.8159388.0205
686.03796.9997-2.13898.7503-3.37523.6061-0.35740.23880.1495-0.9051-0.1793-0.099-0.32550.49240.44140.43630.02870.00540.97670.20820.3372760.663418.9346390.8627
693.3731-1.0311.76340.573-1.09632.1289-0.1929-0.48030.60640.59610.0445-0.3039-0.2730.68330.19242.8436-0.1643-0.57952.4582-0.20842.4227819.242811.5072460.4208
702.61420.39520.74192.54491.16821.5317-0.2052-0.45990.8660.9982-0.193-1.3663-0.70251.17060.3130.9699-0.1808-0.25920.91880.05270.8016788.666111.598421.9823
714.5811-2.3810.78328.59824.32475.2565-1.3581.10971.31170.59730.3775-1.0465-1.22923.07530.95721.94930.0294-0.57662.52130.0351.9044811.16389.4402446.4645
726.49253.72831.7122.63972.47245.052-0.78690.82021.13110.7656-0.1437-1.1316-0.79772.33230.92292.38550.3556-0.73673.0616-0.05892.4861823.83839.8528465.7573
732.8552-1.0298-1.13171.75480.85383.38990.16730.17330.7025-0.74170.0537-0.958-0.23581.2003-0.2080.4688-0.0540.15760.74940.05620.5928782.361812.5875418.5714
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 304 )
2X-RAY DIFFRACTION2chain 'A' and (resid 305 through 573 )
3X-RAY DIFFRACTION3chain 'A' and (resid 574 through 736 )
4X-RAY DIFFRACTION4chain 'A' and (resid 737 through 946 )
5X-RAY DIFFRACTION5chain 'A' and (resid 947 through 1154 )
6X-RAY DIFFRACTION6chain 'A' and (resid 1155 through 1340 )
7X-RAY DIFFRACTION7chain 'A' and (resid 1341 through 1449 )
8X-RAY DIFFRACTION8chain 'B' and (resid 20 through 202 )
9X-RAY DIFFRACTION9chain 'B' and (resid 203 through 408 )
10X-RAY DIFFRACTION10chain 'B' and (resid 409 through 559 )
11X-RAY DIFFRACTION11chain 'B' and (resid 560 through 752 )
12X-RAY DIFFRACTION12chain 'B' and (resid 753 through 972 )
13X-RAY DIFFRACTION13chain 'B' and (resid 973 through 1220 )
14X-RAY DIFFRACTION14chain 'C' and (resid 3 through 26 )
15X-RAY DIFFRACTION15chain 'C' and (resid 27 through 51 )
16X-RAY DIFFRACTION16chain 'C' and (resid 52 through 104 )
17X-RAY DIFFRACTION17chain 'C' and (resid 105 through 117 )
18X-RAY DIFFRACTION18chain 'C' and (resid 118 through 227 )
19X-RAY DIFFRACTION19chain 'C' and (resid 228 through 268 )
20X-RAY DIFFRACTION20chain 'E' and (resid 3 through 26 )
21X-RAY DIFFRACTION21chain 'E' and (resid 27 through 38 )
22X-RAY DIFFRACTION22chain 'E' and (resid 39 through 56 )
23X-RAY DIFFRACTION23chain 'E' and (resid 57 through 89 )
24X-RAY DIFFRACTION24chain 'E' and (resid 90 through 103 )
25X-RAY DIFFRACTION25chain 'E' and (resid 104 through 167 )
26X-RAY DIFFRACTION26chain 'E' and (resid 168 through 195 )
27X-RAY DIFFRACTION27chain 'E' and (resid 196 through 215 )
28X-RAY DIFFRACTION28chain 'F' and (resid 72 through 86 )
29X-RAY DIFFRACTION29chain 'F' and (resid 87 through 102 )
30X-RAY DIFFRACTION30chain 'F' and (resid 103 through 116 )
31X-RAY DIFFRACTION31chain 'F' and (resid 117 through 137 )
32X-RAY DIFFRACTION32chain 'F' and (resid 138 through 142 )
33X-RAY DIFFRACTION33chain 'F' and (resid 143 through 147 )
34X-RAY DIFFRACTION34chain 'F' and (resid 148 through 155 )
35X-RAY DIFFRACTION35chain 'H' and (resid 3 through 16 )
36X-RAY DIFFRACTION36chain 'H' and (resid 17 through 30 )
37X-RAY DIFFRACTION37chain 'H' and (resid 31 through 43 )
38X-RAY DIFFRACTION38chain 'H' and (resid 44 through 53 )
39X-RAY DIFFRACTION39chain 'H' and (resid 54 through 60 )
40X-RAY DIFFRACTION40chain 'H' and (resid 61 through 82 )
41X-RAY DIFFRACTION41chain 'H' and (resid 83 through 92 )
42X-RAY DIFFRACTION42chain 'H' and (resid 93 through 99 )
43X-RAY DIFFRACTION43chain 'H' and (resid 100 through 106 )
44X-RAY DIFFRACTION44chain 'H' and (resid 107 through 118 )
45X-RAY DIFFRACTION45chain 'H' and (resid 119 through 127 )
46X-RAY DIFFRACTION46chain 'H' and (resid 128 through 140 )
47X-RAY DIFFRACTION47chain 'H' and (resid 141 through 146 )
48X-RAY DIFFRACTION48chain 'I' and (resid 2 through 52 )
49X-RAY DIFFRACTION49chain 'I' and (resid 53 through 116 )
50X-RAY DIFFRACTION50chain 'J' and (resid 1 through 10 )
51X-RAY DIFFRACTION51chain 'J' and (resid 11 through 17 )
52X-RAY DIFFRACTION52chain 'J' and (resid 18 through 26 )
53X-RAY DIFFRACTION53chain 'J' and (resid 27 through 31 )
54X-RAY DIFFRACTION54chain 'J' and (resid 32 through 43 )
55X-RAY DIFFRACTION55chain 'J' and (resid 44 through 56 )
56X-RAY DIFFRACTION56chain 'J' and (resid 57 through 65 )
57X-RAY DIFFRACTION57chain 'K' and (resid 1 through 9 )
58X-RAY DIFFRACTION58chain 'K' and (resid 10 through 18 )
59X-RAY DIFFRACTION59chain 'K' and (resid 19 through 29 )
60X-RAY DIFFRACTION60chain 'K' and (resid 30 through 39 )
61X-RAY DIFFRACTION61chain 'K' and (resid 40 through 50 )
62X-RAY DIFFRACTION62chain 'K' and (resid 51 through 55 )
63X-RAY DIFFRACTION63chain 'K' and (resid 56 through 69 )
64X-RAY DIFFRACTION64chain 'K' and (resid 70 through 82 )
65X-RAY DIFFRACTION65chain 'K' and (resid 83 through 114 )
66X-RAY DIFFRACTION66chain 'L' and (resid 27 through 41 )
67X-RAY DIFFRACTION67chain 'L' and (resid 42 through 51 )
68X-RAY DIFFRACTION68chain 'L' and (resid 52 through 70 )
69X-RAY DIFFRACTION69chain 'T' and (resid 1 through 13 )
70X-RAY DIFFRACTION70chain 'T' and (resid 14 through 29 )
71X-RAY DIFFRACTION71chain 'N' and (resid 1 through 6 )
72X-RAY DIFFRACTION72chain 'N' and (resid 7 through 14 )
73X-RAY DIFFRACTION73chain 'R' and (resid 1 through 9 )

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