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- PDB-6erp: Structure of the human mitochondrial transcription initiation com... -

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Basic information

Entry
Database: PDB / ID: 6erp
TitleStructure of the human mitochondrial transcription initiation complex at the LSP promoter
Components
  • DNA-directed RNA polymerase, mitochondrial
  • Dimethyladenosine transferase 2, mitochondrial
  • Non-Template DNA
  • Template DNA
  • Transcription factor A, mitochondrial
KeywordsTRANSCRIPTION / Mitochondria / Initiation / Polymerase
Function / homology
Function and homology information


Mitochondrial transcription initiation / mitochondrial DNA-directed RNA polymerase complex / mitochondrial transcription factor activity / mitochondrial promoter sequence-specific DNA binding / transcription initiation at mitochondrial promoter / mitochondrial respiratory chain complex assembly / rRNA (adenine-N6,N6-)-dimethyltransferase activity / mitochondrial transcription / DNA primase activity / rRNA methylation ...Mitochondrial transcription initiation / mitochondrial DNA-directed RNA polymerase complex / mitochondrial transcription factor activity / mitochondrial promoter sequence-specific DNA binding / transcription initiation at mitochondrial promoter / mitochondrial respiratory chain complex assembly / rRNA (adenine-N6,N6-)-dimethyltransferase activity / mitochondrial transcription / DNA primase activity / rRNA methylation / DNA binding, bending / mitochondrial nucleoid / Mitochondrial protein degradation / heat shock protein binding / Transferases; Transferring one-carbon groups; Methyltransferases / response to nutrient / Transcriptional activation of mitochondrial biogenesis / transcription coactivator binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / 3'-5'-RNA exonuclease activity / sequence-specific DNA binding / transcription cis-regulatory region binding / response to hypoxia / mitochondrial matrix / chromatin binding / regulation of transcription by RNA polymerase II / positive regulation of DNA-templated transcription / protein-containing complex / mitochondrion / RNA binding / nucleus / cytosol
Similarity search - Function
DNA-directed RNA polymerase, N-terminal / DNA-directed RNA polymerase, N-terminal domain superfamily / DNA-directed RNA polymerase N-terminal / Bacteriophage-type RNA polymerase family active site signature 1. / DNA-directed RNA polymerase N-terminal / DNA-directed RNA polymerase, phage-type / : / DNA-dependent RNA polymerase / Bacteriophage-type RNA polymerase family active site signature 2. / Ribosomal RNA adenine methylase transferase, N-terminal ...DNA-directed RNA polymerase, N-terminal / DNA-directed RNA polymerase, N-terminal domain superfamily / DNA-directed RNA polymerase N-terminal / Bacteriophage-type RNA polymerase family active site signature 1. / DNA-directed RNA polymerase N-terminal / DNA-directed RNA polymerase, phage-type / : / DNA-dependent RNA polymerase / Bacteriophage-type RNA polymerase family active site signature 2. / Ribosomal RNA adenine methylase transferase, N-terminal / Ribosomal RNA adenine dimethylases / Ribosomal RNA adenine methyltransferase KsgA/Erm / Ribosomal RNA adenine dimethylase / rRNA adenine N(6)-methyltransferase family profile. / HMG-box domain / HMG (high mobility group) box / HMG boxes A and B DNA-binding domains profile. / high mobility group / High mobility group box domain / High mobility group box domain superfamily / Tetratricopeptide-like helical domain superfamily / S-adenosyl-L-methionine-dependent methyltransferase superfamily / DNA/RNA polymerase superfamily
Similarity search - Domain/homology
DNA / DNA (> 10) / DNA-directed RNA polymerase, mitochondrial / Transcription factor A, mitochondrial / Dimethyladenosine transferase 2, mitochondrial
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4.502 Å
AuthorsHillen, H.S. / Morozov, Y.I. / Sarfallah, A. / Temiakov, D. / Cramer, P.
Funding support Germany, United States, 6items
OrganizationGrant numberCountry
German Research FoundationSFB860 Germany
German Research FoundationSPP1935 Germany
European Research Council693023 Germany
Volkswagen Foundation Germany
National Institutes of HealthRO1 GM104231 United States
Boehringer Ingelheim FondsPhD Student Fellowship Germany
CitationJournal: Cell / Year: 2017
Title: Structural Basis of Mitochondrial Transcription Initiation.
Authors: Hillen, H.S. / Morozov, Y.I. / Sarfallah, A. / Temiakov, D. / Cramer, P.
History
DepositionOct 18, 2017Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 15, 2017Provider: repository / Type: Initial release
Revision 1.1Nov 29, 2017Group: Database references / Category: citation
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
Revision 1.2Jan 24, 2018Group: Source and taxonomy / Category: entity_src_gen / Item: _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id
Revision 1.3Jan 31, 2018Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4May 1, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
C: Transcription factor A, mitochondrial
D: Non-Template DNA
E: Template DNA
G: Transcription factor A, mitochondrial
H: Non-Template DNA
I: Template DNA
A: DNA-directed RNA polymerase, mitochondrial
B: DNA-directed RNA polymerase, mitochondrial
F: Dimethyladenosine transferase 2, mitochondrial
J: Dimethyladenosine transferase 2, mitochondrial


Theoretical massNumber of molelcules
Total (without water)453,05010
Polymers453,05010
Non-polymers00
Water00
1
C: Transcription factor A, mitochondrial
D: Non-Template DNA
E: Template DNA
A: DNA-directed RNA polymerase, mitochondrial
F: Dimethyladenosine transferase 2, mitochondrial


Theoretical massNumber of molelcules
Total (without water)226,5255
Polymers226,5255
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14290 Å2
ΔGint-74 kcal/mol
Surface area84880 Å2
MethodPISA
2
G: Transcription factor A, mitochondrial
H: Non-Template DNA
I: Template DNA
B: DNA-directed RNA polymerase, mitochondrial
J: Dimethyladenosine transferase 2, mitochondrial


Theoretical massNumber of molelcules
Total (without water)226,5255
Polymers226,5255
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14660 Å2
ΔGint-73 kcal/mol
Surface area84070 Å2
MethodPISA
Unit cell
Length a, b, c (Å)103.910, 197.030, 137.210
Angle α, β, γ (deg.)90.00, 99.87, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein Transcription factor A, mitochondrial / mtTFA / Mitochondrial transcription factor 1 / MtTF1 / Transcription factor 6 / TCF-6 / ...mtTFA / Mitochondrial transcription factor 1 / MtTF1 / Transcription factor 6 / TCF-6 / Transcription factor 6-like 2


Mass: 24516.166 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TFAM, TCF6, TCF6L2 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta2 pLysS / References: UniProt: Q00059
#2: DNA chain Non-Template DNA


Mass: 15488.921 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#3: DNA chain Template DNA


Mass: 15232.778 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#4: Protein DNA-directed RNA polymerase, mitochondrial / MtRPOL


Mass: 127904.055 Da / Num. of mol.: 2 / Mutation: E555A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: POLRMT / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): RIL / References: UniProt: O00411, DNA-directed RNA polymerase
#5: Protein Dimethyladenosine transferase 2, mitochondrial / Hepatitis C virus NS5A-transactivated protein 5 / HCV NS5A-transactivated protein 5 / Mitochondrial ...Hepatitis C virus NS5A-transactivated protein 5 / HCV NS5A-transactivated protein 5 / Mitochondrial 12S rRNA dimethylase 2 / Mitochondrial transcription factor B2 / mtTFB2 / S-adenosylmethionine-6-N' / N'-adenosyl(rRNA) dimethyltransferase 2


Mass: 43383.301 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TFB2M, NS5ATP5 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): RIL
References: UniProt: Q9H5Q4, Transferases; Transferring one-carbon groups; Methyltransferases
Sequence detailsThe region of mtRNAP corresponding to the specificity loop (residues 1086-1107) showed fragmented ...The region of mtRNAP corresponding to the specificity loop (residues 1086-1107) showed fragmented density and was modelled based on the structure of the T7 RNAP initiation complex (Cheetham et al., 1999). The density allowed for modelling the main chain trace of this element lacking only three residues (1094-1096) at the tip, yet the sequence register could not be assigned unambiguously and it was therefore modelled as poly-alanine.

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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: 3.05 Å3/Da / Density % sol: 59.74 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 / Details: L-Proline, PEG8000, BIS-TRIS

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 2, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 4.5→49.6 Å / Num. obs: 31884 / % possible obs: 98.7 % / Redundancy: 7.1 % / CC1/2: 0.998 / Rrim(I) all: 0.061 / Net I/σ(I): 14.46
Reflection shellResolution: 4.5→4.61 Å / Redundancy: 7 % / Mean I/σ(I) obs: 1.33 / Num. unique obs: 2283 / CC1/2: 0.54 / Rrim(I) all: 1.857 / % possible all: 96.1

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
XDSdata reduction
XDSdata scaling
PHENIXphasing
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: Model of the human mitochondrial IC on LSP promoter

Resolution: 4.502→49.583 Å / SU ML: 0.65 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 40.32
RfactorNum. reflection% reflection
Rfree0.3101 1595 5.01 %
Rwork0.2701 --
obs0.2721 31840 98.66 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 4.502→49.583 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23890 3718 0 0 27608
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00228592
X-RAY DIFFRACTIONf_angle_d0.53739441
X-RAY DIFFRACTIONf_dihedral_angle_d16.52916799
X-RAY DIFFRACTIONf_chiral_restr0.0544371
X-RAY DIFFRACTIONf_plane_restr0.0034418
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
4.5023-4.64750.38821420.40332670X-RAY DIFFRACTION97
4.6475-4.81350.37541440.37842746X-RAY DIFFRACTION99
4.8135-5.0060.41321460.37162771X-RAY DIFFRACTION99
5.006-5.23360.4031430.39392708X-RAY DIFFRACTION97
5.2336-5.50920.37381450.36962748X-RAY DIFFRACTION99
5.5092-5.85390.40891460.37382773X-RAY DIFFRACTION100
5.8539-6.3050.39961450.37642757X-RAY DIFFRACTION100
6.305-6.9380.38491460.35042795X-RAY DIFFRACTION100
6.938-7.93840.32211430.32612719X-RAY DIFFRACTION97
7.9384-9.98810.26751470.22282793X-RAY DIFFRACTION100
9.9881-49.58610.26581480.20162765X-RAY DIFFRACTION97
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)
15.27936.5802-0.88984.519-5.64015.85730.9818-0.28260.03930.3314-0.8967-2.3309-2.2612.95470.00123.20620.3639-0.1893.5599-0.10153.276739.699449.6231-43.8662
21.0392.5310.68178.9693-0.3681-2.50581.77451.37261.9645-2.9589-0.91-1.5595-1.505-0.90790.00094.88430.4844-0.58144.37670.54964.363326.995339.0211-55.864
35.82560.9494-2.48017.42350.2998-0.27420.7026-0.74230.1955-2.5411.4565-0.81070.9695-1.0947-0.00034.4775-0.52620.26595.10150.30353.342840.69789.8024-68.752
40.3341-0.28870.91441.5336-1.85621.47881.53599.77253.3119-1.77281.0241.5254.5413-1.70310.00044.5483-0.03320.07267.0130.14865.193532.795516.3702-71.7693
50.26150.4626-0.34961.4354-0.8670.5619-4.72441.5986-1.4348-1.23831.6947-4.25572.61123.73430.01365.48980.56011.18564.2266-0.52833.766542.825835.2481-67.5748
60.7409-0.68450.08350.6075-0.14460.2557-2.71722.4706-6.5446-1.0962-2.77731.2634-0.14872.13940.01433.7627-0.0752-0.4294.68980.03224.574438.244437.4527-47.8784
70.3399-0.39470.36640.78620.26740.69671.578-3.31112.0276-0.4087-2.23764.9123-3.5531-1.0592-0.00043.941.3140.3765.7830.82494.541425.029846.3157-39.7952
80.5105-0.06320.1611.53681.47631.12071.5273.05798.1885-2.61010.5743-2.2694-3.83443.5871-0.00143.51640.5461-0.22793.70570.5953.59719.859235.7957-38.4152
90.5827-0.77280.282.0045-8.81085.57396.4932-6.0578-7.13014.2647.53841.9555-3.1432-2.07532.34537.3306-1.20140.2355.8285-1.41564.2008-7.473441.6672-36.3858
100.6445-0.5562-0.03492.35351.58671.08251.13032.17541.1256-2.42290.72435.4865-0.88232.26460.00773.93670.6101-1.29325.15750.18326.8286-29.119240.3846-36.8977
110.2116-0.3029-0.47330.50791.01270.8899-4.2912-1.18686.96112.38014.97858.53790.43124.66680.00466.1469-0.6124-0.01056.4488-0.19746.8478-24.900342.4624-18.1754
122.1315-0.2721-1.5311.6077-3.61665.29582.87430.05984.4071-2.0521-1.431-1.9889-0.0792-0.9845-0.00235.09030.6653-0.06755.6826-1.01856.0479-18.76339.2937-30.4927
130.05970.27610.24330.62360.54220.59031.8999-1.7332-0.5051-0.25132.2686-6.10250.3069-0.82420.00043.608-0.6018-0.49685.36620.94166.22479.598841.7951-33.0209
140.32040.80611.00091.31482.04652.70373.25215.2607-0.4826-7.34190.9562-2.72960.33162.84140.03493.4355-0.25170.46556.31430.94354.119624.13140.259-44.2877
151.5243-2.09742.24275.0722-0.41011.40610.3635-0.20580.26061.54951.25292.22634.15630.8793-0.00015.7598-0.0792-0.20924.7171-0.63814.353936.593225.7837-65.6094
165.58545.13612.70195.08195.41516.5701-0.79410.4725-0.86051.18091.5295-6.2856-0.33450.76480.02193.5920.887-1.22354.4540.58174.698944.6907-103.794-23.467
178.8539-0.9706-3.42225.0009-5.58328.58590.81241.7030.7270.9174-0.8185-0.3481.4810.8034-0.00042.82420.21530.00742.8092-0.12223.175426.2053-106.3954-59.2456
18-0.11041.03271.20520.49093.28133.19191.62642.2961-1.6718-2.35013.6425-0.7023-2.8394-3.18820.0724.59920.41530.64574.4126-0.11437.95516.7494-110.2083-53.5524
19-0.10330.50251.27161.38120.98113.98044.0203-0.66712.9441-4.0599-7.2936-4.99837.4323-2.3261-0.00575.78030.30380.20765.2651-0.42385.35518.7007-103.214-62.4245
202.1067-1.88251.28690.28850.42883.242-0.18790.00520.89470.90652.0423-0.17780.1702-3.5592-0.00314.69620.4953-0.1815.9701-1.0276.938735.2063-109.6942-43.3261
210.22110.42960.70263.5942.03530.5867-0.25730.53181.96530.17872.5487-12.4647-0.19070.35810.03835.88150.8172-0.09934.12490.09136.885228.7207-89.9397-21.7547
222.02871.36993.6641.18470.68433.6694-1.9838-1.1433-0.66131.3992-0.10190.1688-0.0036-0.437-0.00095.6727-0.08490.52045.0577-0.36795.612617.5522-52.0543-11.4088
233.63281.59695.23390.15862.38294.0213-3.32636.89180.1362-3.87454.9787-0.1829-1.07511.1326-0.06335.8656-0.89370.75434.9249-0.57253.2313.5924-47.9028-5.9736
249.65310.92658.55310.7198-1.246810.2688-1.2261-2.2112-4.37670.67555.3866-1.6163-2.20111.46480.20687.32030.51340.63694.5089-0.40597.223825.8079-81.1704-23.1427
258.3-3.3461-2.07662.89633.88412.65980.0525-1.69441.02220.9149-0.7509-2.15320.42663.09530.00073.5215-0.6285-0.08943.85630.32474.332526.5919-106.5712-53.5533
264.282-3.8042-8.3507-5.04842.04042.72292.20740.18325.37780.46990.8877-0.5972-2.0833-1.41090.24013.87750.1176-0.27154.16020.12044.699127.367714.5978-40.999
2710.7516-7.3456-5.41986.7558-1.93678.0755-1.34460.0751-0.5374-0.52971.5838-1.34491.0521.22310.01644.15860.3649-0.79533.7276-0.32372.645812.65652.5272-16.8285
282.79990.4507-1.2344.8841-0.67856.4709-0.22720.2611-0.7023-0.528-0.2756-0.59550.11430.0806-0.00032.68620.40850.12323.1342-0.18242.8792-8.52344.2786-45.4645
294.94890.068-0.81122.2438-1.13455.6459-0.12170.3989-0.90670.56750.43120.9839-0.6-0.9522-03.12690.2062-0.06173.19670.37343.7151-34.5153-1.0329-37.3916
303.36750.29742.4177.67960.2461-1.9673-0.9711-1.00510.0753-0.07560.79531.9706-0.6275-1.2138-0.00034.43991.00320.53334.6710.40683.6883-35.963815.8671-20.2815
312.4725-5.0825-4.28111.87146.29463.6241-0.378-1.1621-0.77941.72571.223-1.55842.50032.066-0.00025.58950.69940.01773.5020.50734.28328.1129-103.6146-32.9949
323.65628.41363.65384.20148.99238.78471.30962.39430.03141.1699-0.248-1.36461.4135-0.77010.00024.8406-0.0705-0.50423.2840.41363.8199-9.3729-99.3814-13.1322
33-2.7223-2.0161-0.77951.28981.80653.05631.04691.32980.80731.4827-0.7660.3216-1.0101-0.8294-0.00023.8738-0.2409-0.09954.73570.97174.8327-29.8651-70.7685-26.0017
343.32521.788-2.67446.1974-4.24438.64460.54490.0159-1.3880.5550.26711.1990.79720.1245-0.00143.3166-0.293-0.27692.3252-0.33643.2324-9.6942-76.4043-35.757
350.2518-2.6536-6.37073.10772.13225.59842.3149-0.41141.67910.85110.78170.3045-1.07841.020.00023.5794-0.15520.12624.06460.07164.3464-5.0116-65.4056-36.1345
36-1.47683.958-1.598.2603-3.99225.197-0.4927-0.0790.78250.24410.55921.8741-1.3628-0.7594-0.00023.74180.139-0.06493.50950.53784.7922-25.7639-46.0907-32.9895
373.75835.5772-1.05615.8198-6.207410.32830.5908-1.05711.85520.8607-0.11420.17012.00534.06650.00755.62590.42551.25013.8675-0.08194.3726-10.3055-32.5398-16.4275
383.49573.51450.3672.98960.35021.58260.8846-1.37250.6642.0288-0.89981.3437-0.423-1.0343-0.00014.95190.04880.28393.6596-0.12093.5175-14.998-52.3077-6.8342
393.8891.8091-1.30041.1237-0.5239-0.01720.1133-0.25925.36321.50971.47740.1122-3.5679-1.05720.00084.65890.53751.03284.3884-0.49786.3623-39.115965.0903-45.2293
402.6025-1.44370.07336.21142.061110.5433-0.52350.5639-0.1369-0.0757-0.1043-1.08390.0203-0.59220.00023.250.11030.06743.82460.39584.8202-32.355251.185-52.902
417.1691-6.0827-4.24583.30453.97015.7581-0.79020.68763.44640.0540.0526-0.76410.91480.6488-0.00063.9827-0.06770.4173.67910.81125.0704-15.938545.7704-59.5617
422.94963.8953-0.4272.6921-0.21615.8343-0.33821.9879-0.8412-2.08231.6131-1.13912.83941.0862-0.00073.6177-0.06620.1894.2730.80652.7583-12.992337.1536-66.2085
435.633-9.37367.98612.03861.83221.7431.3529-0.72317.47533.7247-3.8465-5.21.22436.6786-4.0935.6646-1.7426-0.33855.7811-2.8838.06840.4281-28.4246-19.8308
444.07720.39220.61593.8389-4.72675.78940.3124-8.12228.07693.2837-3.8502-1.154-3.20196.1565-1.87674.2503-1.28151.02563.6527-1.87085.4131.7454-21.8493-17.477
451.0094-0.5101-0.71731.064-0.14830.57683.00731.216-5.83250.13623.75270.56680.5119-1.97310.00575.0947-0.5641-0.18553.6566-0.20334.564316.777-31.244-25.6008
460.9576-0.03370.64970.17380.11410.4258-2.6556-2.04452.57611.8260.97135.2049-2.7865-1.4039-05.4893-0.46631.0693.397-1.22574.504429.3026-25.2552-37.1508
473.5745-1.73732.64232.4167-0.95186.455-2.9855-0.9356-0.3225-0.6810.65712.93345.0306-8.5479-0.09934.0753-0.91820.32533.6613-1.32214.052628.3517-40.9178-27.3752
481.2148-1.6906-2.26281.78022.50043.40361.7107-2.8184-0.538-2.5125-0.4980.30621.7229-0.0005-0.00013.8082-1.0217-0.46014.0294-0.71294.910633.5011-40.2208-30.534
491.36721.6562-2.86144.2531-5.1096.5989-0.1554-9.90942.33441.6623-0.9824-9.55333.8855-0.1138-1.61964.2978-0.5695-0.57875.5499-1.85716.24237.2271-49.6381-32.2411
504.4453-1.3517-0.2716.5888-2.693.91783.8538-0.8405-0.9861-2.97532.3693-6.9391.98530.16224.84864.1072-1.41210.16174.5857-1.62886.159333.2467-41.906-38.3612
513.667-1.04293.88963.6006-3.41634.7807-0.13113.3653-2.4307-1.52220.3459-4.9061.24620.71720.0244.4119-1.46580.35283.69-1.32363.302722.6583-59.4159-44.0177
527.23-0.4734-4.10970.02921.27355.1616-1.58623.7541-1.416-3.54262.0469-1.7687-0.12181.60390.00014.6207-0.86520.31223.8291-0.54733.821224.4692-56.1535-47.8701
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'C' and (resid 43 through 92 )
2X-RAY DIFFRACTION2chain 'C' and (resid 93 through 169 )
3X-RAY DIFFRACTION3chain 'C' and (resid 170 through 234 )
4X-RAY DIFFRACTION4chain 'D' and (resid 1 through 10 )
5X-RAY DIFFRACTION5chain 'D' and (resid 11 through 15 )
6X-RAY DIFFRACTION6chain 'D' and (resid 16 through 20 )
7X-RAY DIFFRACTION7chain 'D' and (resid 21 through 25 )
8X-RAY DIFFRACTION8chain 'D' and (resid 26 through 30 )
9X-RAY DIFFRACTION9chain 'D' and (resid 31 through 35 )
10X-RAY DIFFRACTION10chain 'D' and (resid 36 through 44 )
11X-RAY DIFFRACTION11chain 'D' and (resid 45 through 50 )
12X-RAY DIFFRACTION12chain 'E' and (resid 1 through 20 )
13X-RAY DIFFRACTION13chain 'E' and (resid 21 through 25 )
14X-RAY DIFFRACTION14chain 'E' and (resid 26 through 30 )
15X-RAY DIFFRACTION15chain 'E' and (resid 31 through 50 )
16X-RAY DIFFRACTION16chain 'G' and (resid 43 through 122 )
17X-RAY DIFFRACTION17chain 'G' and (resid 123 through 197 )
18X-RAY DIFFRACTION18chain 'G' and (resid 198 through 234 )
19X-RAY DIFFRACTION19chain 'H' and (resid 1 through 10 )
20X-RAY DIFFRACTION20chain 'H' and (resid 11 through 20 )
21X-RAY DIFFRACTION21chain 'H' and (resid 21 through 30 )
22X-RAY DIFFRACTION22chain 'H' and (resid 31 through 50 )
23X-RAY DIFFRACTION23chain 'I' and (resid 1 through 15 )
24X-RAY DIFFRACTION24chain 'I' and (resid 16 through 30 )
25X-RAY DIFFRACTION25chain 'I' and (resid 31 through 50 )
26X-RAY DIFFRACTION26chain 'A' and (resid 122 through 251 )
27X-RAY DIFFRACTION27chain 'A' and (resid 252 through 378 )
28X-RAY DIFFRACTION28chain 'A' and (resid 379 through 645 )
29X-RAY DIFFRACTION29chain 'A' and (resid 646 through 934 )
30X-RAY DIFFRACTION30chain 'A' and (resid 935 through 1230 )
31X-RAY DIFFRACTION31chain 'B' and (resid 122 through 251 )
32X-RAY DIFFRACTION32chain 'B' and (resid 252 through 354 )
33X-RAY DIFFRACTION33chain 'B' and (resid 355 through 423 )
34X-RAY DIFFRACTION34chain 'B' and (resid 424 through 586 )
35X-RAY DIFFRACTION35chain 'B' and (resid 587 through 688 )
36X-RAY DIFFRACTION36chain 'B' and (resid 689 through 934 )
37X-RAY DIFFRACTION37chain 'B' and (resid 935 through 1024 )
38X-RAY DIFFRACTION38chain 'B' and (resid 1025 through 1230 )
39X-RAY DIFFRACTION39chain 'F' and (resid 72 through 153 )
40X-RAY DIFFRACTION40chain 'F' and (resid 154 through 238 )
41X-RAY DIFFRACTION41chain 'F' and (resid 239 through 353 )
42X-RAY DIFFRACTION42chain 'F' and (resid 354 through 392 )
43X-RAY DIFFRACTION43chain 'J' and (resid 72 through 126 )
44X-RAY DIFFRACTION44chain 'J' and (resid 127 through 153 )
45X-RAY DIFFRACTION45chain 'J' and (resid 154 through 168 )
46X-RAY DIFFRACTION46chain 'J' and (resid 169 through 189 )
47X-RAY DIFFRACTION47chain 'J' and (resid 190 through 213 )
48X-RAY DIFFRACTION48chain 'J' and (resid 214 through 238 )
49X-RAY DIFFRACTION49chain 'J' and (resid 239 through 266 )
50X-RAY DIFFRACTION50chain 'J' and (resid 267 through 316 )
51X-RAY DIFFRACTION51chain 'J' and (resid 317 through 353 )
52X-RAY DIFFRACTION52chain 'J' and (resid 354 through 392 )

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