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- PDB-5vo8: X-ray crystal structure of a bacterial reiterative transcription ... -

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Basic information

Entry
Database: PDB / ID: 5vo8
TitleX-ray crystal structure of a bacterial reiterative transcription complex of pyrG promoter
Components
  • (DNA-directed RNA polymerase subunit ...Polymerase) x 4
  • DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*CP*TP*GP*AP*TP*GP*CP*AP*CP*C)-3')
  • DNA (5'-D(P*GP*GP*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3')
  • RNA (5'-D(*(GTP))-R(P*GP*GP*GP*GP*GP*GP*G)-3')
  • RNA polymerase sigma factor SigA
Keywordstranscription/DNA/RNA / Thermus thermophilus / RNA polymerase / reiterative transcription / holoenzyme / transcription-DNA-RNA complex
Function / homology
Function and homology information


sigma factor activity / DNA-directed RNA polymerase complex / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / protein dimerization activity / DNA-templated transcription / magnesium ion binding / DNA binding ...sigma factor activity / DNA-directed RNA polymerase complex / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / protein dimerization activity / DNA-templated transcription / magnesium ion binding / DNA binding / zinc ion binding / metal ion binding / cytoplasm
Similarity search - Function
: / DNA-directed RNA polymerase subunit beta', hybrid domain / 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 / RNA polymerase sigma factor RpoD, C-terminal / RNA polymerase sigma factor RpoD / RNA polymerase sigma-70 region 1.2 ...: / DNA-directed RNA polymerase subunit beta', hybrid domain / 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 / RNA polymerase sigma factor RpoD, C-terminal / RNA polymerase sigma factor RpoD / RNA polymerase sigma-70 region 1.2 / Sigma-70 factor, region 1.2 / RNA polymerase sigma-70 region 3 / Sigma-70 region 3 / Sigma-70 factors family signature 2. / RNA polymerase sigma-70 / RNA polymerase sigma-70 region 4 / Sigma-70, region 4 / RNA polymerase sigma-70 region 2 / RNA polymerase sigma-70 like domain / Sigma-70 region 2 / RNA polymerase sigma factor, region 2 / RNA polymerase sigma factor, region 3/4-like / Gyrase A; domain 2 / DNA-directed RNA polymerase, omega subunit / DNA-directed RNA polymerase, subunit beta-prime, bacterial type / DNA-directed RNA polymerase, beta subunit, external 1 domain superfamily / DNA-directed RNA polymerase, beta subunit, external 1 domain / RNA polymerase beta subunit external 1 domain / RNA polymerase, alpha subunit, C-terminal / Bacterial RNA polymerase, alpha chain C terminal domain / DNA-directed RNA polymerase, alpha subunit / DNA-directed RNA polymerase beta subunit, bacterial-type / 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 / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 4 / RNA polymerase, N-terminal / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase I subunit A N-terminus / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 5 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / DNA-directed RNA polymerase, insert domain / DNA-directed RNA polymerase, RpoA/D/Rpb3-type / RNA polymerase Rpb3/RpoA insert domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerases D / DNA-directed RNA polymerase, insert domain superfamily / RNA polymerase, RBP11-like subunit / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb2, domain 2 / RNA polymerase, beta subunit, conserved site / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerase Rpb2, OB-fold / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerases beta chain signature. / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain / DNA-directed RNA polymerase, subunit 2 / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain superfamily / RNA polymerase Rpb2, domain 6 / Winged helix-like DNA-binding domain superfamily / Alpha-Beta Complex / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
PYROPHOSPHATE 2- / DNA / DNA (> 10) / RNA / DNA-directed RNA polymerase subunit alpha / RNA polymerase sigma factor SigA / DNA-directed RNA polymerase subunit omega / DNA-directed RNA polymerase subunit beta' / DNA-directed RNA polymerase subunit beta
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
Bacillus subtilis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å
AuthorsMurakami, K.S. / Shin, Y. / Turnbough Jr, C.L. / Molodtsov, V.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM087350 United States
CitationJournal: Proc. Natl. Acad. Sci. U.S.A. / Year: 2017
Title: X-ray crystal structure of a reiterative transcription complex reveals an atypical RNA extension pathway.
Authors: Murakami, K.S. / Shin, Y. / Turnbough, C.L. / Molodtsov, V.
History
DepositionMay 2, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 24, 2017Provider: repository / Type: Initial release
Revision 1.1Jul 12, 2017Group: 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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.name
Revision 1.2Aug 9, 2017Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Sep 20, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Oct 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 / struct_conn / struct_conn_type
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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 subunit alpha
B: DNA-directed RNA polymerase subunit alpha
C: DNA-directed RNA polymerase subunit beta
D: DNA-directed RNA polymerase subunit beta'
E: DNA-directed RNA polymerase subunit omega
F: RNA polymerase sigma factor SigA
G: DNA (5'-D(P*GP*GP*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3')
H: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*CP*TP*GP*AP*TP*GP*CP*AP*CP*C)-3')
I: RNA (5'-D(*(GTP))-R(P*GP*GP*GP*GP*GP*GP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)444,99614
Polymers444,6419
Non-polymers3555
Water0
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area54330 Å2
ΔGint-216 kcal/mol
Surface area143500 Å2
MethodPISA
Unit cell
Length a, b, c (Å)186.537, 101.984, 296.113
Angle α, β, γ (deg.)90.00, 98.56, 90.00
Int Tables number5
Space group name H-MC121

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Components

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DNA-directed RNA polymerase subunit ... , 4 types, 5 molecules ABCDE

#1: Protein DNA-directed RNA polymerase subunit alpha / Polymerase / RNAP subunit alpha / RNA polymerase subunit alpha / Transcriptase subunit alpha


Mass: 35056.164 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHR6, DNA-directed RNA polymerase
#2: Protein DNA-directed RNA polymerase subunit beta / Polymerase / RNAP subunit beta / RNA polymerase subunit beta / Transcriptase subunit beta


Mass: 125436.539 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q8RQE9, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase subunit beta' / Polymerase / RNAP subunit beta' / RNA polymerase subunit beta' / Transcriptase subunit beta'


Mass: 170997.391 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q8RQE8, DNA-directed RNA polymerase
#4: Protein DNA-directed RNA polymerase subunit omega / Polymerase / RNAP omega subunit / RNA polymerase omega subunit / Transcriptase subunit omega


Mass: 11533.316 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q8RQE7, DNA-directed RNA polymerase

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DNA chain , 2 types, 2 molecules GH

#6: DNA chain DNA (5'-D(P*GP*GP*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3')


Mass: 6674.347 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Bacillus subtilis (bacteria)
#7: DNA chain DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*CP*TP*GP*AP*TP*GP*CP*AP*CP*C)-3')


Mass: 8412.417 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Bacillus subtilis (bacteria)

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Protein / RNA chain , 2 types, 2 molecules FI

#5: Protein RNA polymerase sigma factor SigA


Mass: 48598.031 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SKW1
#8: RNA chain RNA (5'-D(*(GTP))-R(P*GP*GP*GP*GP*GP*GP*G)-3')


Mass: 2876.648 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)

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Non-polymers , 3 types, 5 molecules

#9: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#10: Chemical ChemComp-POP / PYROPHOSPHATE 2- / Pyrophosphate


Mass: 175.959 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: H2O7P2
#11: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn

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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: 3.15 Å3/Da / Density % sol: 60.95 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 0.1 M Tris-HCl (pH 8), 0.2M KCl, 50 mM MgCl2, 9.5 % PEG4000

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: F1 / Wavelength: 0.98 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 7, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 3.3→30 Å / Num. obs: 78332 / % possible obs: 94.2 % / Redundancy: 3.2 % / Net I/σ(I): 9.9

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4Q4Z

4q4z


Resolution: 3.3→29.883 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.67 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2461 1999 2.56 %
Rwork0.185 --
obs0.1865 78219 94.24 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.3→29.883 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27548 973 13 0 28534
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01329156
X-RAY DIFFRACTIONf_angle_d1.5839623
X-RAY DIFFRACTIONf_dihedral_angle_d19.86517759
X-RAY DIFFRACTIONf_chiral_restr0.0884464
X-RAY DIFFRACTIONf_plane_restr0.0115026
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3-3.38240.34441140.30153970X-RAY DIFFRACTION70
3.3824-3.47370.30691210.27714440X-RAY DIFFRACTION78
3.4737-3.57580.33251270.27544967X-RAY DIFFRACTION86
3.5758-3.6910.31711390.25325296X-RAY DIFFRACTION92
3.691-3.82270.29021410.24165537X-RAY DIFFRACTION96
3.8227-3.97540.29581520.21495662X-RAY DIFFRACTION98
3.9754-4.15590.24211500.1875709X-RAY DIFFRACTION99
4.1559-4.37430.22841540.17545764X-RAY DIFFRACTION100
4.3743-4.64750.19471460.15945774X-RAY DIFFRACTION100
4.6475-5.00480.23081460.16165756X-RAY DIFFRACTION100
5.0048-5.50560.25631550.16735793X-RAY DIFFRACTION100
5.5056-6.29580.23361550.18575809X-RAY DIFFRACTION100
6.2958-7.90760.23541510.18125822X-RAY DIFFRACTION100
7.9076-29.88420.20821480.14145921X-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)
12.0285-0.6463-1.12990.77070.15450.965-0.2508-0.2622-0.14030.67650.4113-0.09470.39611.0573-0.19710.8669-0.0161-0.19192.0891-0.29390.5907484.5778.9459710.5579
20.94021.05951.07122.18750.16552.58780.1935-1.26930.17560.7298-0.1989-0.50170.06471.35470.01480.8505-0.1595-0.08312.7013-0.27730.896504.62986.6919700.9865
33.8661-0.2851-0.25973.603-1.12.20870.413-1.43030.23160.75350.125-0.0658-0.66691.5575-0.38950.9125-0.07730.0231.965-0.32940.592475.642912.2961715.6474
42.3136-2.025-3.7666.01152.4226.34730.52330.29840.4319-0.4440.193-0.6821-1.0375-0.0979-0.70241.4435-0.25310.04110.836-0.1530.7078466.56629.0927701.1777
55.5568-0.0783-1.10111.6050.1062.80850.092-0.22220.10780.33010.06070.5451-0.5377-0.8236-0.23990.94030.15320.21421.2029-0.00410.6529442.194616.0142714.2266
69.76421.98487.23154.31741.38246.1240.0860.03950.0817-0.5256-0.2709-0.4092-0.78660.7030.20481.23030.05160.20051.11650.08120.8491446.909128.249722.1387
73.4953-0.39280.19971.9478-0.86562.916-0.2335-0.6480.83030.1483-0.19310.306-1.068-1.27040.43631.56480.49250.23871.4781-0.15151.0844431.22628.0934717.4471
86.4925-1.0601-1.86311.98540.17544.5184-0.3364-1.2026-0.01290.33960.29950.3368-0.644-0.1794-0.08261.33510.23440.25781.3835-0.04490.6481440.182515.4135722.1259
92.7473-0.68350.37552.2731-1.39110.8613-0.0781-0.53640.3055-0.03710.2769-0.3621-0.49560.8625-0.2361.1863-0.10530.14311.1822-0.3470.817466.769322.708707.4216
104.0191-0.1674-1.3051.9679-0.03253.663-0.29240.2081-0.71750.17090.276-0.59190.66691.32770.09130.74380.4713-0.02721.5887-0.11570.9785505.2824-25.4481658.201
113.31820.7897-0.78872.98450.98943.6439-0.7391.4183-0.9294-0.56410.13630.09831.0268-0.21790.55051.16830.07230.1461.6332-0.39981.0305483.6909-35.6669637.6987
125.1890.7267-1.69382.78021.1321.6955-0.29850.2677-0.41530.20380.0750.34420.54950.95490.08220.74590.41780.04040.84920.04970.592485.8432-20.2703662.4079
132.06510.2015-0.82081.05280.54112.5093-0.1839-0.5781-0.39150.28710.1341-0.42060.61491.25040.02980.72650.4027-0.07041.29050.04080.6917491.3041-14.9614680.1554
142.55220.614-1.27292.0358-0.57612.9991-0.0605-0.8012-0.06520.0188-0.0888-0.29750.10211.390.15620.54080.1447-0.10451.1138-0.12930.5246489.34092.2259680.6402
151.6781-0.1231-0.31060.38270.71592.36910.1642-0.41950.26250.204-0.12560.0653-0.79451.3749-0.04610.5611-0.08310.0270.3689-0.16680.5989472.943410.9446670.577
160.5731-0.9749-1.61761.51911.89912.95310.24710.6702-0.2154-0.3709-0.3430.0541-0.412-0.10440.12740.78860.1285-0.01722.0444-0.0950.7958492.5503-8.3036597.1171
171.5281-0.201-0.6730.8257-0.0323.76120.0417-0.0558-0.16020.0605-0.06370.2323-0.0277-0.1901-0.02050.3949-0.0025-0.01350.2337-0.11220.6427452.87283.0626666.5422
181.1215-0.57590.40032.40181.28482.9330.21030.13080.5092-0.22250.088-0.0892-1.29240.21520.00191.71020.24930.2445-0.2335-0.12110.926456.693332.9869665.7123
192.9955-0.3867-0.41684.4228-0.72180.66940.4727-0.61510.91250.43970.0066-0.4604-1.06370.3239-0.26472.0927-0.40620.23210.3541-0.23391.0327461.815140.6504672.834
200.0022-0.00810.00010.04950.0078-0.0003-0.0146-0.03870.24920.4738-0.0842-0.4247-0.80680.18090.12063.5631-0.43050.11021.3251-0.0191.9614463.480950.5272657.5232
211.5624-0.1762-0.40884.4225-2.69074.43050.40181.11120.0626-0.6749-0.4413-0.1183-0.53010.1631-0.0281.02940.21780.02552.3541-0.2190.8185498.4926-1.2347599.333
220.713-0.3647-0.38161.63961.78713.14220.4070.4912-0.0155-0.034-0.2901-0.3864-0.06110.4503-0.14330.7201-0.07560.06491.80910.06730.8052507.6621-1.6753631.9887
232.80763.25191.39163.84711.67470.75010.6101-0.37241.3290.6101-0.45561.1217-1.11080.78580.04751.8531-0.61890.31311.6765-0.30631.8757501.965648.623653.4212
241.95852.02691.98979.7452.0832.0262-0.19020.1316-2.1991-1.02180.1923-0.04140.6451-1.8622-0.27111.3684-0.31220.2211.7369-0.48761.6675460.6325-14.027631.4916
259.18546.05086.70274.5574.59514.9443-0.0324-0.2242-0.3696-0.1417-0.67970.092-0.04150.26980.66070.6146-0.1646-0.05920.9608-0.1410.8054472.52810.5364656.7105
267.9855-8.0382-5.90358.08735.94454.36070.10091.7956-0.8831-1.8575-0.6791-0.83490.62120.27720.56891.48640.35410.612.194-0.0891.233488.8886-0.0377660.8877
277.63931.4197-1.31296.8225-1.01026.42050.48950.4604-0.30870.0957-0.3221-0.25930.30981.1254-0.18280.8490.1072-0.09431.6282-0.17691.0571505.9614-16.7787615.0653
281.9958-3.4081-2.11336.24762.59438.31120.2301-0.5891-0.46310.5444-0.25390.17670.684-0.11570.12051.4894-0.1670.27031.4129-0.14851.4193463.1028-12.4717642.2532
292.30152.30162.03026.06265.73915.4422-0.71361.2674-2.2901-1.37122.511-3.6395-0.07232.5185-1.68952.25010.27730.11692.4505-0.38022.2016458.8412-14.5944624.5755
303.6092-0.66413.09012.5052-1.07552.752-0.02822.709-1.1739-0.9515-0.1144-0.4940.22850.39740.05420.96310.18580.13052.44-0.1380.9853478.7877-6.6775658.58
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 4 through 68 )
2X-RAY DIFFRACTION2chain 'A' and (resid 69 through 173 )
3X-RAY DIFFRACTION3chain 'A' and (resid 174 through 229 )
4X-RAY DIFFRACTION4chain 'B' and (resid 6 through 31 )
5X-RAY DIFFRACTION5chain 'B' and (resid 32 through 83 )
6X-RAY DIFFRACTION6chain 'B' and (resid 84 through 95 )
7X-RAY DIFFRACTION7chain 'B' and (resid 96 through 136 )
8X-RAY DIFFRACTION8chain 'B' and (resid 137 through 173 )
9X-RAY DIFFRACTION9chain 'B' and (resid 174 through 229 )
10X-RAY DIFFRACTION10chain 'C' and (resid 1 through 136 )
11X-RAY DIFFRACTION11chain 'C' and (resid 137 through 375 )
12X-RAY DIFFRACTION12chain 'C' and (resid 376 through 468 )
13X-RAY DIFFRACTION13chain 'C' and (resid 469 through 754 )
14X-RAY DIFFRACTION14chain 'C' and (resid 755 through 931 )
15X-RAY DIFFRACTION15chain 'C' and (resid 932 through 1118 )
16X-RAY DIFFRACTION16chain 'D' and (resid 3 through 582 )
17X-RAY DIFFRACTION17chain 'D' and (resid 583 through 1502 )
18X-RAY DIFFRACTION18chain 'E' and (resid 2 through 33 )
19X-RAY DIFFRACTION19chain 'E' and (resid 34 through 81 )
20X-RAY DIFFRACTION20chain 'E' and (resid 82 through 95 )
21X-RAY DIFFRACTION21chain 'F' and (resid 78 through 202 )
22X-RAY DIFFRACTION22chain 'F' and (resid 203 through 340 )
23X-RAY DIFFRACTION23chain 'F' and (resid 341 through 423 )
24X-RAY DIFFRACTION24chain 'G' and (resid 3 through 12 )
25X-RAY DIFFRACTION25chain 'G' and (resid 13 through 17 )
26X-RAY DIFFRACTION26chain 'G' and (resid 18 through 21 )
27X-RAY DIFFRACTION27chain 'H' and (resid 1 through 9 )
28X-RAY DIFFRACTION28chain 'H' and (resid 16 through 19 )
29X-RAY DIFFRACTION29chain 'H' and (resid 20 through 25 )
30X-RAY DIFFRACTION30chain 'I' and (resid 2 through 8 )

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