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- PDB-4qiw: Crystal structure of euryarchaeal RNA polymerase from Thermococcu... -

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Basic information

Entry
Database: PDB / ID: 4qiw
TitleCrystal structure of euryarchaeal RNA polymerase from Thermococcus kodakarensis
Components(DNA-directed RNA ...) x 11
KeywordsTRANSCRIPTION / DNA-directed RNA polymerase
Function / homology
Function and homology information


DNA-directed RNA polymerase complex / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / chromosome / protein dimerization activity / nucleotide binding / DNA-templated transcription / magnesium ion binding ...DNA-directed RNA polymerase complex / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / chromosome / protein dimerization activity / nucleotide binding / DNA-templated transcription / magnesium ion binding / DNA binding / zinc ion binding / cytoplasm
Similarity search - Function
Alpha-Beta Plaits - #3110 / Helix Hairpins - #10 / DNA polymerase; domain 1 - #390 / DNA-directed RNA polymerase subunit Rpo4 / DNA-directed RNA polymerase subunit Rpo12 / 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 ...Alpha-Beta Plaits - #3110 / Helix Hairpins - #10 / DNA polymerase; domain 1 - #390 / DNA-directed RNA polymerase subunit Rpo4 / DNA-directed RNA polymerase subunit Rpo12 / 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 / RNA polymerase Rpb7-like, N-terminal domain / Hypothetical Protein Ta0175; Chain: A, domain 2 - #20 / HRDC domain superfamily / DCoH-like / RNA polymerase alpha subunit dimerisation domain / Hypothetical Protein Ta0175; Chain: A, domain 2 / 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 / 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 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1 funnel domain / RNA polymerase, RBP11-like subunit / Enzyme I; Chain A, domain 2 / 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 / Gyrase A; domain 2 / RNA polymerase subunit Rpb4/RPC9 / RNA polymerase Rpb4 / S1 domain profile. / Homeodomain-like / HRDC-like superfamily / 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 / 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. / 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 / 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 / DNA-directed RNA polymerase, subunit beta-prime / 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
Similarity search - Domain/homology
DNA-directed RNA polymerase subunit Rpo12 / DNA-directed RNA polymerase subunit Rpo5 / DNA-directed RNA polymerase subunit beta / DNA-directed RNA polymerase subunit Rpo1N / DNA-directed RNA polymerase subunit Rpo1C / DNA-directed RNA polymerase subunit Rpo11 / DNA-directed RNA polymerase subunit Rpo4 / DNA-directed RNA polymerase subunit Rpo7 / DNA-directed RNA polymerase subunit Rpo10 / DNA-directed RNA polymerase subunit Rpo6 / DNA-directed RNA polymerase subunit Rpo3
Similarity search - Component
Biological speciesThermococcus kodakarensis (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.5 Å
AuthorsJun, S.-H. / Murakami, K.S.
CitationJournal: Nat Commun / Year: 2014
Title: The X-ray crystal structure of the euryarchaeal RNA polymerase in an open-clamp configuration.
Authors: Jun, S.H. / Hirata, A. / Kanai, T. / Santangelo, T.J. / Imanaka, T. / Murakami, K.S.
History
DepositionJun 2, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 8, 2014Provider: repository / Type: Initial release
Revision 1.1Nov 26, 2014Group: Database references
Revision 1.2Oct 30, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
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_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_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.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_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_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
B: DNA-directed RNA polymerase
C: DNA-directed RNA polymerase subunit A''
D: DNA-directed RNA polymerase subunit D
E: DNA-directed RNA polymerase, subunit E'
F: DNA-directed RNA polymerase, subunit F
H: DNA-directed RNA polymerase subunit H
K: DNA-directed RNA polymerase subunit K
L: DNA-directed RNA polymerase subunit L
N: DNA-directed RNA polymerase subunit N
P: DNA-directed RNA polymerase subunit P
I: DNA-directed RNA polymerase
J: DNA-directed RNA polymerase
M: DNA-directed RNA polymerase subunit A''
O: DNA-directed RNA polymerase subunit D
Q: DNA-directed RNA polymerase, subunit E'
R: DNA-directed RNA polymerase, subunit F
S: DNA-directed RNA polymerase subunit H
T: DNA-directed RNA polymerase subunit K
U: DNA-directed RNA polymerase subunit L
V: DNA-directed RNA polymerase subunit N
W: DNA-directed RNA polymerase subunit P
hetero molecules


Theoretical massNumber of molelcules
Total (without water)762,51836
Polymers761,76722
Non-polymers75114
Water1086
1
A: DNA-directed RNA polymerase
B: DNA-directed RNA polymerase
C: DNA-directed RNA polymerase subunit A''
D: DNA-directed RNA polymerase subunit D
E: DNA-directed RNA polymerase, subunit E'
F: DNA-directed RNA polymerase, subunit F
H: DNA-directed RNA polymerase subunit H
K: DNA-directed RNA polymerase subunit K
L: DNA-directed RNA polymerase subunit L
N: DNA-directed RNA polymerase subunit N
P: DNA-directed RNA polymerase subunit P
hetero molecules


Theoretical massNumber of molelcules
Total (without water)381,25918
Polymers380,88311
Non-polymers3767
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area54460 Å2
ΔGint-375 kcal/mol
Surface area134120 Å2
MethodPISA
2
I: DNA-directed RNA polymerase
J: DNA-directed RNA polymerase
M: DNA-directed RNA polymerase subunit A''
O: DNA-directed RNA polymerase subunit D
Q: DNA-directed RNA polymerase, subunit E'
R: DNA-directed RNA polymerase, subunit F
S: DNA-directed RNA polymerase subunit H
T: DNA-directed RNA polymerase subunit K
U: DNA-directed RNA polymerase subunit L
V: DNA-directed RNA polymerase subunit N
W: DNA-directed RNA polymerase subunit P
hetero molecules


Theoretical massNumber of molelcules
Total (without water)381,25918
Polymers380,88311
Non-polymers3767
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area54410 Å2
ΔGint-375 kcal/mol
Surface area134070 Å2
MethodPISA
Unit cell
Length a, b, c (Å)112.975, 206.606, 365.157
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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DNA-directed RNA ... , 11 types, 22 molecules AIBJCMDOEQFRHSKTLUNVPW

#1: Protein DNA-directed RNA polymerase


Mass: 103038.633 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JE33, DNA-directed RNA polymerase
#2: Protein DNA-directed RNA polymerase


Mass: 127468.039 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JE32, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase subunit A''


Mass: 43727.410 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JE34, DNA-directed RNA polymerase
#4: Protein DNA-directed RNA polymerase subunit D


Mass: 29429.645 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JJF4, DNA-directed RNA polymerase
#5: Protein DNA-directed RNA polymerase, subunit E'


Mass: 21893.438 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JIY4
#6: Protein DNA-directed RNA polymerase, subunit F


Mass: 14519.659 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JI52
#7: Protein DNA-directed RNA polymerase subunit H


Mass: 9522.031 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JE31, DNA-directed RNA polymerase
#8: Protein DNA-directed RNA polymerase subunit K


Mass: 6286.519 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JJD0, DNA-directed RNA polymerase
#9: Protein DNA-directed RNA polymerase subunit L


Mass: 11842.385 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JE88, DNA-directed RNA polymerase
#10: Protein DNA-directed RNA polymerase subunit N


Mass: 7601.975 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JJC9, DNA-directed RNA polymerase
#11: Protein/peptide DNA-directed RNA polymerase subunit P


Mass: 5553.708 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermococcus kodakarensis (archaea) / Strain: ATCC BAA-918 / JCM 12380 / KOD1 / References: UniProt: Q5JDM8, DNA-directed RNA polymerase

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Non-polymers , 3 types, 20 molecules

#12: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#13: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Zn
#14: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Formula: H2O

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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: 5

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Sample preparation

CrystalDensity Matthews: 2.8 Å3/Da / Density % sol: 56.03 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 0.1 M imidazole (pH 8.0), 0.2 M CaCl2, 0.2M NaNO3 and 12% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: F1 / Wavelength: 0.9179 Å
DetectorType: ADSC QUANTUM 270 / Detector: CCD / Date: Nov 12, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9179 Å / Relative weight: 1
ReflectionResolution: 3.5→50 Å / Num. obs: 113257 / % possible obs: 94.9 %
Reflection shellResolution: 3.5→3.59 Å / Redundancy: 4.5 % / % possible all: 86.1

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHENIXmodel building
PHENIX(phenix.refine: 1.8.3_1479)refinement
DENZOdata reduction
SCALEPACKdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.5→49.732 Å / SU ML: 0.85 / σ(F): 1.38 / Phase error: 37.4 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3156 5246 5.02 %
Rwork0.2766 --
obs0.2786 104446 96.28 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.5→49.732 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms51049 0 14 6 51069
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00552014
X-RAY DIFFRACTIONf_angle_d0.96270225
X-RAY DIFFRACTIONf_dihedral_angle_d18.18420151
X-RAY DIFFRACTIONf_chiral_restr0.0637794
X-RAY DIFFRACTIONf_plane_restr0.0059123
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.5-3.53980.46121810.41122859X-RAY DIFFRACTION85
3.5398-3.58140.41371530.42122925X-RAY DIFFRACTION87
3.5814-3.62510.38891490.40033010X-RAY DIFFRACTION88
3.6251-3.6710.44611530.39393056X-RAY DIFFRACTION91
3.671-3.71920.45061770.39053057X-RAY DIFFRACTION91
3.7192-3.77020.40711540.37773166X-RAY DIFFRACTION92
3.7702-3.8240.38481430.36383176X-RAY DIFFRACTION94
3.824-3.88110.38631660.35833215X-RAY DIFFRACTION94
3.8811-3.94170.37771800.3513183X-RAY DIFFRACTION95
3.9417-4.00630.38721940.34483240X-RAY DIFFRACTION96
4.0063-4.07530.35251530.33643309X-RAY DIFFRACTION97
4.0753-4.14940.36981600.32473326X-RAY DIFFRACTION97
4.1494-4.22920.36151770.3063307X-RAY DIFFRACTION97
4.2292-4.31550.3231800.30063336X-RAY DIFFRACTION98
4.3155-4.40920.34441920.28663306X-RAY DIFFRACTION98
4.4092-4.51170.32091860.27253384X-RAY DIFFRACTION98
4.5117-4.62450.3271640.26693365X-RAY DIFFRACTION99
4.6245-4.74940.29451740.25563373X-RAY DIFFRACTION99
4.7494-4.88910.3022000.25923402X-RAY DIFFRACTION99
4.8891-5.04670.31321710.25613410X-RAY DIFFRACTION100
5.0467-5.22690.33921800.25013435X-RAY DIFFRACTION99
5.2269-5.4360.27281690.25023429X-RAY DIFFRACTION100
5.436-5.6830.28931580.26073448X-RAY DIFFRACTION100
5.683-5.98220.34771980.2683435X-RAY DIFFRACTION100
5.9822-6.35630.3651790.28373446X-RAY DIFFRACTION100
6.3563-6.84590.33371690.25723463X-RAY DIFFRACTION100
6.8459-7.53270.29252030.24863474X-RAY DIFFRACTION100
7.5327-8.61780.27671830.1973504X-RAY DIFFRACTION100
8.6178-10.8390.19252070.18263519X-RAY DIFFRACTION100
10.839-49.73710.26951930.26543642X-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)
10.03490.08280.0240.1359-0.0040.14180.0090.0039-0.23680.25110.20650.3447-0.09460.71060.00320.55330.1323-0.11471.0679-0.29081.3673-9.6524-71.952112.8522
20.1808-0.01860.15510.20570.07130.23260.01980.10010.1706-0.0932-0.2898-0.0082-0.1018-0.3673-0.40770.4712-0.033-0.07690.3216-0.136-0.3853-33.9236-19.5497129.4766
30.3386-0.0023-0.0518-0.0418-0.09550.21-0.7839-0.21030.08420.6324-0.3507-0.45710.09220.0758-1.56250.47250.732-0.0293-0.1834-0.1651-0.7596-15.3914-23.0468157.4562
40.4861-0.0942-0.1198-0.0687-0.20520.2374-0.53160.33120.22850.0649-0.0424-0.40140.15530.1155-0.74820.02470.411-0.01130.18630.32790.743326.1341-29.2783124.962
50.2128-0.0332-0.0470.3130.03990.22350.0679-0.01650.10310.10270.067-0.69690.04180.32530.010.33960.2187-0.54010.4596-0.10660.657718.1114-10.3234139.4974
6-0.0066-0.0167-0.00370.03260.00340.0253-0.16090.20920.2251-0.00990.20130.0509-0.213-0.074800.4659-0.00670.08870.91630.28570.8009-7.2232-14.138398.0018
70.18510.0019-0.12730.02470.00140.0699-0.1376-0.34280.38650.12510.116-0.05-0.23540.3649-0.03150.58450.1842-0.31220.1246-0.23220.759-14.3005-5.0027139.4764
80.0369-0.04270.02870.0476-0.00580.02580.0530.21930.1519-0.13760.09620.2058-0.1224-0.09860.05760.8210.02460.06750.9103-0.18880.7611-28.831-57.46109.2987
90.00220.0069-0.01080.0033-0.0060.0079-0.0443-0.07050.00340.002-0.0093-0.0326-0.05820.0545-01.0968-0.10260.27571.0590.30291.084-47.8794-44.0333167.058
100.1868-0.00510.00740.0678-0.08850.059-0.0007-0.1026-0.0012-0.0292-0.1594-0.2344-0.1613-0.2275-0.12861.05650.4417-0.20160.67460.32140.5055-29.1143-40.4145151.1752
110.04540.05120.07280.06740.03830.0703-0.2254-0.1662-0.12450.0318-0.3235-0.52060.00960.190801.4917-0.1748-0.23311.82150.12891.496513.0386-55.0015172.4475
12-0.0015-0.0033-0.00190.0084-0.00940.00050.12730.1153-0.0552-0.04470.12810.0028-0.0188-0.016501.89930.2376-0.04491.54430.41671.5251-4.4382-50.0343170.8837
130.1124-0.00030.02110.0449-0.0410.0330.0022-0.1181-0.21440.0511-0.13920.01910.07080.16710.00080.72390.24930.19440.51260.2070.107-16.2388-51.9509154.2927
140.0345-0.02290.00420.086-0.05090.00140.1336-0.16480.01310.05750.0495-0.2624-0.14180.25810.00380.65070.0566-0.05850.68150.04210.3425-25.4024-54.3493125.636
150.3102-0.0984-0.09190.02040.02470.04530.0622-0.06160.7801-0.01860.0726-0.333-0.2425-0.03630.31320.62980.1767-0.12570.45940.36331.1409-22.720618.938132.5871
160.1904-0.0189-0.02730.0738-0.00230.1961-0.09070.27280.03570.2442-0.42750.1018-0.29810.0241-0.24360.65330.02480.03630.566-0.51540.266-54.0986-66.752389.6998
170.1027-0.0140.0110.0431-0.02310.0213-0.00280.1744-0.0207-0.0315-0.06730.2075-0.0151-0.1293-01.52220.1018-0.00371.5844-0.49582.0036-63.8625-75.738595.263
180.00060.01430.02020.0071-0.00550.0276-0.2252-0.06730.05570.0102-0.0756-0.0924-0.14810.0354-01.0139-0.03530.3230.85330.29941.1029-28.2077-65.1327155.1513
190.01790.00260.00730.0120.00670.01530.02170.11050.0961-0.0938-0.0207-0.0414-0.0138-0.1129-01.0708-0.0424-0.31760.8836-0.34210.9259-49.2375-36.4339127.1513
200.27050.12420.07530.1527-0.07180.26030.01320.3993-0.10850.0751-0.0673-0.0940.01860.1522-0.05590.84160.1907-0.18950.5298-0.07311.2435-46.31328.1002136.1118
210.0853-0.08180.02390.1014-0.08660.0889-0.0095-0.10820.230.0163-0.0719-0.02950.13540.10310.03440.9811-0.0541-0.35210.3050.26111.2268-3.460615.608129.4896
22-0.00490.0046-0.00550.0206-0.01710.00830.03930.07090.07110.0477-0.14240.1202-0.03450.0528-00.98820.25220.2061.04950.58180.90481.48710.526796.6264
230.01630.0503-0.13420.3126-0.07390.1485-0.1656-0.08260.2808-0.27180.16430.02710.17640.3086-0.00910.49350.0945-0.19040.9155-0.08351.3629-28.768910.691967.7195
240.04530.0028-0.05770.12970.0020.05160.04610.07330.4220.0054-0.13080.18830.5068-0.1416-0.41890.2927-0.25770.08950.55080.5321-0.2603-51.1681-38.113540.6114
25-0.0121-0.0682-0.00830.0153-0.22250.2002-0.21110.2785-0.2295-0.4161-0.1612-0.437-0.124-0.2536-0.10880.2631-0.24620.14880.57210.9805-0.5137-31.4021-29.503814.6452
260.31930.159-0.08550.6970.14610.30250.0563-0.12820.33050.6665-0.0469-0.42760.20740.4165-0.23330.278-0.25030.10180.59710.08270.70738.5562-30.104749.2939
270.2915-0.1263-0.02520.20.13060.33490.38110.20940.3502-0.13860.1593-0.81480.15290.23521.13170.2155-0.2150.60020.3481-0.0615-0.2971.3394-45.726530.8608
280.057-0.0111-0.02620.0216-0.00450.02340.047-0.00210.11970.0580.09520.0738-0.0414-0.05350.02650.5873-0.380.23540.48810.07840.0628-25.9291-50.30471.0725
290.1553-0.02890.11980.1635-0.11260.3350.30050.15740.0921-0.0566-0.0186-0.06370.12020.18590.6460.6036-0.45850.04960.6133-0.17480.0013-30.6683-50.970528.6107
300.01690.00980.002-0.0060.00070.00440.0426-0.0631-0.04320.09790.15030.33860.1168-0.053200.5475-0.16390.12621.10310.06631.1242-47.4698-5.052467.5806
31-0.001-0.00330.0020.01-0.00970.0009-0.0573-0.04160.0759-0.02390.04120.0273-0.05730.0538-01.3566-0.0531-0.07791.37550.52411.2299-63.7335-6.79738.106
320.10670.0555-0.11580.1896-0.11860.1872-0.22510.10820.0181-0.0794-0.11080.11030.1513-0.1665-0.35430.6427-0.3035-0.13320.43720.43830.1352-45.4857-13.691523.5337
330.01730.0066-0.04020.0192-0.01220.03960.1354-0.17840.13740.14160.2529-0.6686-0.19290.51780.0071.2611-0.1023-0.07441.68660.48511.5572-2.70864.68097.0927
34-0.0020.00330.0016-0.00440.00040.00380.0028-0.02030.06090.05480.0097-0.07470.02710.019301.6898-0.0641-0.07121.73540.53871.3653-20.1722-0.44896.9719
350.0177-0.01210.00710.13660.0590.05740.20750.18330.3496-0.0692-0.0107-0.0383-0.09080.11540.04671.361-0.29620.03910.7650.54410.4792-32.5504-1.815323.2566
360.0072-0.00870.00750.0042-0.03110.03090.0846-0.0125-0.02120.03930.1255-0.02080.1019-0.15550.02450.3264-0.1887-0.26471.15410.00730.7795-42.6858-5.321551.3372
370.11630.0353-0.04740.0665-0.10590.1215-0.0750.0275-0.4322-0.0464-0.14980.15360.1587-0.2256-0.30910.7432-0.3779-0.19970.46840.35720.3894-39.693-75.55829.6834
380.05-0.017-0.04960.12370.01490.01690.00690.0985-0.71750.1544-0.15720.23540.0287-0.0387-0.00120.6529-0.28370.07761.03040.06251.2533-71.8597-0.795488.7488
390.00730.03130.0010.04390.02140.0063-0.1082-0.11190.03760.1381-0.12240.02930.1128-0.028-01.3775-0.19890.22752.017-0.41421.9059-81.7139.061385.3156
400.0060.0043-0.02250.003-0.00910.0241-0.0436-0.0661-0.0270.0763-0.1268-0.0296-0.15760.178701.02830.09710.24531.25670.57010.8945-44.341811.335324.9153
410.02910.01330.0036-0.00150.00190.00520.1171-0.0240.18440.04860.0495-0.08820.0437-0.1438-0.00720.2866-0.03190.04260.7685-0.15390.4648-66.4494-22.260445.6494
420.1017-0.00870.04080.04320.0134-0.0094-0.1370.0292-0.1353-0.014-0.0656-0.0645-0.2189-0.1793-0.13760.8626-0.4148-0.17940.9921-0.01070.8767-63.128-64.16927.6644
430.0002-0.02120.01880.00990.0116-0.00540.08550.1811-0.1457-0.00910.12-0.0316-0.0065-0.01010.08410.71720.17610.06150.4731-0.45440.1077-20.4736-73.20334.5383
44-0.00570.00780.02740.0105-0.007-0.00370.0092-0.0753-0.02760.0141-0.0065-0.06740.05660.1627-0.00070.8243-0.1585-0.09380.4684-0.1770.6845-17.425-65.122269.9532
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 6 through 303 )
2X-RAY DIFFRACTION2chain 'A' and (resid 304 through 557 )
3X-RAY DIFFRACTION3chain 'A' and (resid 558 through 898 )
4X-RAY DIFFRACTION4chain 'B' and (resid 10 through 494 )
5X-RAY DIFFRACTION5chain 'B' and (resid 495 through 763 )
6X-RAY DIFFRACTION6chain 'B' and (resid 764 through 874 )
7X-RAY DIFFRACTION7chain 'B' and (resid 875 through 1053 )
8X-RAY DIFFRACTION8chain 'B' and (resid 1054 through 1122 )
9X-RAY DIFFRACTION9chain 'C' and (resid 7 through 38 )
10X-RAY DIFFRACTION10chain 'C' and (resid 39 through 105 )
11X-RAY DIFFRACTION11chain 'C' and (resid 106 through 222 )
12X-RAY DIFFRACTION12chain 'C' and (resid 223 through 253 )
13X-RAY DIFFRACTION13chain 'C' and (resid 254 through 331 )
14X-RAY DIFFRACTION14chain 'C' and (resid 332 through 386 )
15X-RAY DIFFRACTION15chain 'D'
16X-RAY DIFFRACTION16chain 'E'
17X-RAY DIFFRACTION17chain 'F'
18X-RAY DIFFRACTION18chain 'H'
19X-RAY DIFFRACTION19chain 'K'
20X-RAY DIFFRACTION20chain 'L'
21X-RAY DIFFRACTION21chain 'N'
22X-RAY DIFFRACTION22chain 'P'
23X-RAY DIFFRACTION23chain 'I' and (resid 6 through 303 )
24X-RAY DIFFRACTION24chain 'I' and (resid 304 through 557 )
25X-RAY DIFFRACTION25chain 'I' and (resid 558 through 897 )
26X-RAY DIFFRACTION26chain 'J' and (resid 10 through 494 )
27X-RAY DIFFRACTION27chain 'J' and (resid 495 through 763 )
28X-RAY DIFFRACTION28chain 'J' and (resid 764 through 874 )
29X-RAY DIFFRACTION29chain 'J' and (resid 875 through 1053 )
30X-RAY DIFFRACTION30chain 'J' and (resid 1054 through 1122 )
31X-RAY DIFFRACTION31chain 'M' and (resid 7 through 38 )
32X-RAY DIFFRACTION32chain 'M' and (resid 39 through 105 )
33X-RAY DIFFRACTION33chain 'M' and (resid 106 through 222 )
34X-RAY DIFFRACTION34chain 'M' and (resid 223 through 253 )
35X-RAY DIFFRACTION35chain 'M' and (resid 254 through 331 )
36X-RAY DIFFRACTION36chain 'M' and (resid 332 through 386 )
37X-RAY DIFFRACTION37chain 'O'
38X-RAY DIFFRACTION38chain 'Q'
39X-RAY DIFFRACTION39chain 'R'
40X-RAY DIFFRACTION40chain 'S'
41X-RAY DIFFRACTION41chain 'T'
42X-RAY DIFFRACTION42chain 'U'
43X-RAY DIFFRACTION43chain 'V'
44X-RAY DIFFRACTION44chain 'W'

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