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- PDB-4ayb: RNAP at 3.2Ang -

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Basic information

Entry
Database: PDB / ID: 4ayb
TitleRNAP at 3.2Ang
Components(DNA-DIRECTED RNA ...) x 13
KeywordsTRANSFERASE / MULTI-SUBUNIT / TRANSCRIPTION
Function / homology
Function and homology information


RNA polymerase binding / 3 iron, 4 sulfur cluster binding / transcription elongation by RNA polymerase I / tRNA transcription by RNA polymerase III / transcription by RNA polymerase I / nucleotidyltransferase activity / DNA-directed RNA polymerase complex / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase ...RNA polymerase binding / 3 iron, 4 sulfur cluster binding / transcription elongation by RNA polymerase I / tRNA transcription by RNA polymerase III / transcription by RNA polymerase I / nucleotidyltransferase activity / DNA-directed RNA polymerase complex / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / transcription by RNA polymerase II / protein dimerization activity / nucleotide binding / DNA-templated transcription / magnesium ion binding / DNA binding / zinc ion binding / metal ion binding / cytoplasm
Similarity search - Function
DNA Excision Repair, Uvrb; Chain A - #10 / DNA Excision Repair, Uvrb; Chain A / Arc Repressor Mutant, subunit A - #1950 / Immunoglobulin-like - #2940 / Dihydrolipoamide Transferase - #40 / Helix Hairpins - #930 / Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #2940 / N-terminal domain of TfIIb - #80 / RNA polymerase Rpo13 subunit HTH domain / RNA polymerase Rpo13 subunit HTH domain ...DNA Excision Repair, Uvrb; Chain A - #10 / DNA Excision Repair, Uvrb; Chain A / Arc Repressor Mutant, subunit A - #1950 / Immunoglobulin-like - #2940 / Dihydrolipoamide Transferase - #40 / Helix Hairpins - #930 / Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #2940 / N-terminal domain of TfIIb - #80 / RNA polymerase Rpo13 subunit HTH domain / RNA polymerase Rpo13 subunit HTH domain / DNA-directed RNA polymerase subunit Rpo8 / DNA-directed RNA polymerase, subunit G / DNA polymerase; domain 1 - #390 / DNA-directed RNA polymerase subunit Rpo4 / DNA-directed RNA polymerase subunit Rpo12 / Dihydrolipoamide Transferase / DNA-directed RNA polymerase subunit Rpo1C / DNA-directed RNA polymerase subunit Rpo1N / DNA-directed RNA polymerase subunit Rpo2 / DNA-directed RNA polymerase subunit Rpo7 / HRDC domain / RNA polymerase ii / N-terminal domain of TfIIb / RNA polymerase Rpb7-like, N-terminal domain / Hypothetical Protein Ta0175; Chain: A, domain 2 - #20 / DCoH-like / RNA polymerase alpha subunit dimerisation domain / Hypothetical Protein Ta0175; Chain: A, domain 2 / HRDC domain superfamily / DNA-directed RNA polymerase, subunit E/RPC8 / RNA polymerase ii, chain L / RPB5-like RNA polymerase subunit / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; Domain 6 / DNA-directed RNA polymerase, subunit 2, domain 6 / Alpha-Beta Plaits - #20 / Barwin-like endoglucanases - #20 / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; domain 3 / RNA polymerase Rpb2, domain 2 / RNA polymerase II, Rpb2 subunit, wall domain / Barwin-like endoglucanases / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / Other non-globular / RNA polymerase Rpb1 funnel domain / RNA polymerase, RBP11-like subunit / Rubrerythrin, domain 2 / Topoisomerase I; Chain A, domain 4 / DNA-directed RNA polymerase, insert domain / RNA Polymerase Alpha Subunit; Chain A, domain 2 / Helix Hairpins / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Gyrase A; domain 2 / RNA polymerase subunit Rpb4/RPC9 / RNA polymerase Rpb4 / S1 domain profile. / Homeodomain-like / RNA polymerase Rpb7-like , N-terminal / RNA polymerase Rpb7-like, N-terminal domain superfamily / RNA polymerase subunit Rpb7-like / SHS2 domain found in N terminus of Rpb7p/Rpc25p/MJ0397 / HRDC-like superfamily / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 4 / : / 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. / 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 / 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 / Ribosomal protein S1-like RNA-binding domain / S1 RNA binding domain / Nucleic acid-binding proteins / Dna Ligase; domain 1 / S1 domain / Helix non-globular / Beta Complex / Special
Similarity search - Domain/homology
IRON/SULFUR CLUSTER / DNA-directed RNA polymerase subunit Rpo1N / DNA-directed RNA polymerase subunit Rpo1C / DNA-directed RNA polymerase subunit Rpo2 / DNA-directed RNA polymerase subunit Rpo3 / DNA-directed RNA polymerase subunit Rpo7 / DNA-directed RNA polymerase subunit Rpo4 / DNA-directed RNA polymerase subunit Rpo8 / DNA-directed RNA polymerase subunit Rpo5 / DNA-directed RNA polymerase subunit Rpo6 ...IRON/SULFUR CLUSTER / DNA-directed RNA polymerase subunit Rpo1N / DNA-directed RNA polymerase subunit Rpo1C / DNA-directed RNA polymerase subunit Rpo2 / DNA-directed RNA polymerase subunit Rpo3 / DNA-directed RNA polymerase subunit Rpo7 / DNA-directed RNA polymerase subunit Rpo4 / DNA-directed RNA polymerase subunit Rpo8 / DNA-directed RNA polymerase subunit Rpo5 / DNA-directed RNA polymerase subunit Rpo6 / DNA-directed RNA polymerase subunit Rpo11 / DNA-directed RNA polymerase subunit Rpo10 / DNA-directed RNA polymerase subunit Rpo12 / DNA-directed RNA polymerase subunit Rpo13
Similarity search - Component
Biological speciesSULFOLOBUS SHIBATAE (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.202 Å
AuthorsWojtas, M.N. / Mogni, M. / Millet, O. / Bell, S.D. / Abrescia, N.G.A.
Citation
Journal: Nucleic Acids Res. / Year: 2012
Title: Structural and Functional Analyses of the Interaction of Archaeal RNA Polymerase with DNA.
Authors: Wojtas, M.N. / Mogni, M. / Millet, O. / Bell, S.D. / Abrescia, N.G.A.
#1: Journal: Biochem.Soc.Trans. / Year: 2011
Title: Archaeal RNA Polymerase: The Influence of the Protruding Stalk in Crystal Packing and Preliminary Biophysical Analysis of the Rpo13 Subunit.
Authors: Wojtas, M. / Peralta, B. / Ondiviela, M. / Mogni, M. / Bell, S.D. / Abrescia, N.G.A.
#2: Journal: Plos Biol. / Year: 2009
Title: Evolution of Complex RNA Polymerases: The Complete Archaeal RNA Polymerase Structure.
Authors: Korkhin, Y. / Unligil, U.M. / Littlefield, O. / Nelson, P.J. / Stuart, D.I. / Sigler, P.B. / Bell, S.D. / Abrescia, N.G.
History
DepositionJun 19, 2012Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 8, 2012Provider: repository / Type: Initial release
Revision 1.1Aug 15, 2012Group: Atomic model / Derived calculations ...Atomic model / Derived calculations / Non-polymer description / Other
Revision 1.2Sep 5, 2012Group: Atomic model
Revision 1.3Nov 7, 2012Group: Database references
Revision 1.4Nov 20, 2019Group: Advisory / Derived calculations / Other
Category: pdbx_database_status / pdbx_struct_conn_angle ...pdbx_database_status / pdbx_struct_conn_angle / pdbx_validate_close_contact / struct_conn
Item: _pdbx_database_status.status_code_sf
Revision 1.5Dec 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _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_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.6Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature
Remark 700 SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AE" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AE" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BQ" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "EB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA-DIRECTED RNA POLYMERASE
B: DNA-DIRECTED RNA POLYMERASE
C: DNA-DIRECTED RNA POLYMERASE
D: DNA-DIRECTED RNA POLYMERASE
E: DNA-DIRECTED RNA POLYMERASE
F: DNA-DIRECTED RNA POLYMERASE
G: DNA-DIRECTED RNA POLYMERASE
H: DNA-DIRECTED RNA POLYMERASE
K: DNA-DIRECTED RNA POLYMERASE
L: DNA-DIRECTED RNA POLYMERASE
N: DNA-DIRECTED RNA POLYMERASE
P: DNA-DIRECTED RNA POLYMERASE
Q: DNA-DIRECTED RNA POLYMERASE
hetero molecules


Theoretical massNumber of molelcules
Total (without water)406,66625
Polymers405,63613
Non-polymers1,03012
Water00
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area74780 Å2
ΔGint-334.1 kcal/mol
Surface area162090 Å2
MethodPISA
Unit cell
Length a, b, c (Å)195.725, 212.415, 128.757
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212

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Components

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DNA-DIRECTED RNA ... , 13 types, 13 molecules ABCDEFGHKLNPQ

#1: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 99766.523 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO1N SUBUNIT / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB53, DNA-directed RNA polymerase
#2: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 127582.016 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO2 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB55, DNA-directed RNA polymerase
#3: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 43792.785 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO1C / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB54, DNA-directed RNA polymerase
#4: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 30179.119 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO3 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB56, DNA-directed RNA polymerase
#5: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 20328.703 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO7 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB57, DNA-directed RNA polymerase
#6: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 12822.612 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPOF / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB58, DNA-directed RNA polymerase
#7: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 15139.458 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO8 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB59, DNA-directed RNA polymerase
#8: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 9688.296 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO5 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB60, DNA-directed RNA polymerase
#9: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 10729.534 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO6 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB61, DNA-directed RNA polymerase
#10: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 10211.846 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO11 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB62, DNA-directed RNA polymerase
#11: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 7617.085 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO10 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB63, DNA-directed RNA polymerase
#12: Protein/peptide DNA-DIRECTED RNA POLYMERASE


Mass: 5606.951 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO12 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB64, DNA-directed RNA polymerase
#13: Protein DNA-DIRECTED RNA POLYMERASE


Mass: 12170.576 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: RPO13 / Source: (natural) SULFOLOBUS SHIBATAE (archaea) / References: UniProt: B8YB65, DNA-directed RNA polymerase

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Non-polymers , 3 types, 12 molecules

#14: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 10 / 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-SF4 / IRON/SULFUR CLUSTER


Mass: 351.640 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Fe4S4

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Details

Has protein modificationY

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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: 3.47 Å3/Da / Density % sol: 64.6 % / Description: NONE

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Data collection

DiffractionMean temperature: 110 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Nov 6, 2009
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.2→40.1 Å / Num. obs: 88449 / % possible obs: 99.5 % / Observed criterion σ(I): -3 / Redundancy: 15.2 % / Biso Wilson estimate: 65.3 Å2 / Rmerge(I) obs: 0.18 / Net I/σ(I): 13.9
Reflection shellResolution: 3.2→3.27 Å / Redundancy: 15.3 % / Mean I/σ(I) obs: 2 / % possible all: 99.1

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
DENZOdata reduction
SCALEPACKdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2WAQ

2waq


Resolution: 3.202→40.097 Å / SU ML: 0.4 / σ(F): 1.34 / Phase error: 30.23 / Stereochemistry target values: ML / Details: THIS ENTRY UPDATES PDB ENTRIES 2WAQ AND 2WB1.
RfactorNum. reflection% reflection
Rfree0.3005 4426 5 %
Rwork0.2425 --
obs0.2454 88375 99.43 %
Solvent computationShrinkage radii: 0.89 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 47.52 Å2 / ksol: 0.355 e/Å3
Displacement parametersBiso mean: 95.9 Å2
Baniso -1Baniso -2Baniso -3
1-9.1928 Å20 Å20 Å2
2---12.2327 Å20 Å2
3---3.0399 Å2
Refinement stepCycle: LAST / Resolution: 3.202→40.097 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27103 0 18 0 27121
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00727638
X-RAY DIFFRACTIONf_angle_d0.76237329
X-RAY DIFFRACTIONf_dihedral_angle_d12.61210602
X-RAY DIFFRACTIONf_chiral_restr0.0444243
X-RAY DIFFRACTIONf_plane_restr0.0044781
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2021-3.27650.39272910.3275398X-RAY DIFFRACTION97
3.2765-3.35840.35972900.31445540X-RAY DIFFRACTION99
3.3584-3.44920.37542890.30735524X-RAY DIFFRACTION99
3.4492-3.55060.33413100.28155544X-RAY DIFFRACTION99
3.5506-3.66520.31172710.27155531X-RAY DIFFRACTION99
3.6652-3.79610.31112890.25665578X-RAY DIFFRACTION100
3.7961-3.94790.32512780.24545553X-RAY DIFFRACTION100
3.9479-4.12740.31483260.2385540X-RAY DIFFRACTION100
4.1274-4.34480.31692870.21785590X-RAY DIFFRACTION100
4.3448-4.61660.24622980.19445591X-RAY DIFFRACTION100
4.6166-4.97250.25072780.20135644X-RAY DIFFRACTION100
4.9725-5.47180.2943130.23215612X-RAY DIFFRACTION100
5.4718-6.2610.31972810.25195695X-RAY DIFFRACTION100
6.261-7.87830.28753060.22795718X-RAY DIFFRACTION100
7.8783-40.09980.27153190.23735891X-RAY DIFFRACTION99
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)
12.4592-0.26010.02153.2027-0.41353.3510.42260.3210.4668-0.7344-0.07110.1982-0.9356-0.36550.01730.78050.2877-0.14660.56770.03990.044-58.072330.7049-41.0023
21.6291-0.16270.34212.16610.16731.6725-0.03420.0668-0.16110.51130.0477-0.1890.14880.1319-0.0014-0.17760.2087-0.0686-0.12890.041-0.0368-38.097311.40111.591
30.64920.68370.61230.88910.78230.7636-0.11520.2080.3585-0.21580.0696-0.0538-0.18230.2308-0.01670.20130.11320.05090.3107-0.02560.514-26.1420.1813-1.9669
41.5098-0.64020.99622.7621-1.21882.2976-0.11420.11480.52730.3314-0.0355-0.1112-0.4912-0.0637-0.00010.17870.02790.0138-0.0037-0.03430.4189-52.666367.81244.6378
50.82580.32630.4041.29780.32291.66790.19160.69270.1772-0.6071-0.0746-0.0794-0.12490.0239-00.50280.02940.18850.75610.39340.8126-23.902564.571-25.9886
60.737-0.27930.0741.6074-0.0560.8006-0.0580.19350.64730.24890.0120.0396-0.3031-0.0520.0278-0.11710.0984-0.0752-0.043-0.0175-0.2355-45.620643.10766.3882
71.80350.01820.71630.6722-0.19752.38310.21020.2387-0.149-0.09560.0321-0.65420.30090.3946-0.00080.04780.09430.01090.3829-0.17390.3812-22.4445-3.3751-7.4783
81.32420.1052-0.48661.22791.02311.16460.01750.2152-0.0728-0.6667-0.02010.3311-0.18030.0755-0.00010.2787-0.2064-0.04671.0533-0.01570.98341.900837.8921-29.475
91.6073-0.07060.18260.899-0.05121.8483-0.02420.61890.1793-0.57460.0868-0.2809-0.18260.2016-0.01480.10180.02410.01960.392-0.03330.3717-32.301311.5001-22.6627
102.27790.04460.15081.69450.0521.73290.1054-0.6254-0.0830.61410.08820.58890.0885-0.53480.00820.88240.22830.29610.61550.0440.1483-65.048627.672142.819
111.0852-0.9403-0.62692.0621-0.21461.3441-0.2149-0.5748-0.1141.01380.279-0.1639-0.14270.14630.00811.29820.197-0.18230.56250.12350.0387-38.472615.065149.788
120.8824-0.2011-0.19880.6531-0.17630.59270.09550.9959-0.1914-0.4991-0.20390.46070.3335-0.3252-0.01140.24660.0048-0.22410.5072-0.2050.6852-73.5684-14.2971-26.5944
130.02810.06270.05590.14180.1290.115-0.57731.0798-0.3735-0.27070.05780.54510.7843-1.1416-0.00011.0733-0.0118-0.18162.4034-0.1751.2937-99.3394-11.1045-54.9424
140.030.0707-0.05760.1551-0.13790.11450.10850.2383-0.347-0.94460.51530.73230.6054-0.44690.00030.8083-0.1414-0.52831.39370.07361.4207-85.2196-21.54-38.0025
150.0772-0.02370.07960.0063-0.02260.07830.54850.1388-0.222-0.70160.58790.59860.039-0.69070.00011.70820.2103-0.34572.0888-0.77141.8279-80.4496-26.4188-57.7583
161.03240.1866-0.06130.5512-0.31240.7288-0.1647-0.655-0.37740.75840.1167-0.83510.39860.56410.00480.95080.1927-0.37120.62760.1370.4682-13.8804-10.914235.559
170.9511-0.1364-0.05560.9584-0.19221.0545-0.17680.7894-0.0969-0.6380.1303-0.5929-0.03960.2572-0.00690.42730.17270.04620.651-0.16120.5182-23.1702-1.7332-31.6842
182.4175-0.63520.87941.9677-0.64341.6971-0.1604-0.1208-0.74490.14210.0320.06020.55520.1146-0.04120.2343-0.0657-0.13160.1229-0.04950.4734-51.2796-12.769-8.3443
191.32850.2725-0.04110.5635-0.51280.5472-0.0294-0.2733-0.65180.17660.26510.12350.2289-0.34350.00020.91710.04690.00770.46860.28610.3227-53.134-2.52538.4677
200.2436-0.5018-0.1871.9571-0.46690.9288-0.5916-0.38630.08161.49160.74470.1441-0.6635-0.51110.09870.86730.25760.02520.3671-0.24220.0553-50.535941.780939.7178
210.3796-0.00970.02230.38650.28170.72860.1188-0.34080.47250.52610.11810.5596-0.5488-0.0728-0.00740.54620.35970.28220.41010.0180.6592-79.44650.928919.5126
220.1661-0.15980.01180.1696-0.06640.17970.11970.73350.56-0.89360.4251-0.8645-0.21830.26970.00021.19610.10270.16791.4748-0.36910.8081-29.5532-1.4839-48.8604
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN A AND RESID 3:298
2X-RAY DIFFRACTION2CHAIN A AND RESID 299:755
3X-RAY DIFFRACTION3CHAIN A AND RESID 756:879
4X-RAY DIFFRACTION4CHAIN B AND RESID 7:174
5X-RAY DIFFRACTION5CHAIN B AND RESID 175:334
6X-RAY DIFFRACTION6CHAIN B AND RESID 335:1125
7X-RAY DIFFRACTION7CHAIN C AND RESID 7:125
8X-RAY DIFFRACTION8CHAIN C AND RESID 126:249
9X-RAY DIFFRACTION9CHAIN C AND RESID 250:395
10X-RAY DIFFRACTION10CHAIN D AND RESID 2:157
11X-RAY DIFFRACTION11CHAIN D AND RESID 158:263
12X-RAY DIFFRACTION12CHAIN E AND RESID 1:78
13X-RAY DIFFRACTION13CHAIN E AND RESID 79:177
14X-RAY DIFFRACTION14CHAIN F AND RESID 3:46
15X-RAY DIFFRACTION15CHAIN F AND RESID 47:110
16X-RAY DIFFRACTION16CHAIN G
17X-RAY DIFFRACTION17CHAIN H
18X-RAY DIFFRACTION18CHAIN K
19X-RAY DIFFRACTION19CHAIN L
20X-RAY DIFFRACTION20CHAIN N
21X-RAY DIFFRACTION21CHAIN P
22X-RAY DIFFRACTION22CHAIN Q

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