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- PDB-3rj1: Architecture of the Mediator Head module -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 3rj1
TitleArchitecture of the Mediator Head module
Components(Mediator of RNA polymerase II transcription subunit ...) x 7
KeywordsTRANSCRIPTION / Mediator / RNA polymeras II / Pol II / RNAP / Med / Head module / Mediator Head / regulator / Helical bundle / transcriptional regulation / RNA polymerase II / TBP / nucleus
Function / homology
Function and homology information


RNA polymerase II complex recruiting activity / transcription open complex formation at RNA polymerase II promoter / TFIIH-class transcription factor complex binding / core mediator complex / negative regulation of ribosomal protein gene transcription by RNA polymerase II / mediator complex / termination of RNA polymerase II transcription / TFIID-class transcription factor complex binding / positive regulation of transcription initiation by RNA polymerase II / cellular response to nutrient levels ...RNA polymerase II complex recruiting activity / transcription open complex formation at RNA polymerase II promoter / TFIIH-class transcription factor complex binding / core mediator complex / negative regulation of ribosomal protein gene transcription by RNA polymerase II / mediator complex / termination of RNA polymerase II transcription / TFIID-class transcription factor complex binding / positive regulation of transcription initiation by RNA polymerase II / cellular response to nutrient levels / RNA polymerase II core promoter sequence-specific DNA binding / RNA polymerase II preinitiation complex assembly / TBP-class protein binding / transcription coregulator activity / transcription initiation at RNA polymerase II promoter / positive regulation of transcription elongation by RNA polymerase II / transcription corepressor activity / cellular response to heat / protein-macromolecule adaptor activity / DNA-binding transcription factor binding / transcription coactivator activity / RNA polymerase II cis-regulatory region sequence-specific DNA binding / protein domain specific binding / regulation of transcription by RNA polymerase II / negative regulation of transcription by RNA polymerase II / positive regulation of transcription by RNA polymerase II / nucleus
Similarity search - Function
Mediator of RNA polymerase II transcription subunit 22, Saccharomycetes / Mediator of RNA polymerase II transcription subunit 20 / Mediator complex, subunit Med6, fungi / Mediator complex, subunit Med20 / TATA-binding related factor (TRF) of subunit 20 of Mediator complex / Mediator complex, subunit Med6 / Mediator complex, subunit Med17 / Mediator complex, subunit Med6 superfamily / MED6 mediator sub complex component / Subunit 17 of Mediator complex ...Mediator of RNA polymerase II transcription subunit 22, Saccharomycetes / Mediator of RNA polymerase II transcription subunit 20 / Mediator complex, subunit Med6, fungi / Mediator complex, subunit Med20 / TATA-binding related factor (TRF) of subunit 20 of Mediator complex / Mediator complex, subunit Med6 / Mediator complex, subunit Med17 / Mediator complex, subunit Med6 superfamily / MED6 mediator sub complex component / Subunit 17 of Mediator complex / Mediator of RNA polymerase II transcription subunit 22 / Mediator complex, subunit Med8, fungi/metazoa / Mediator complex, subunit Med11 / Surfeit locus protein 5 subunit 22 of Mediator complex / Mediator of RNA polymerase II transcription complex subunit 8 / Mediator complex protein / Mediator complex, subunit Med18 / Med18 protein
Similarity search - Domain/homology
SELENIUM ATOM / Mediator of RNA polymerase II transcription subunit 17 / Mediator of RNA polymerase II transcription subunit 22 / Mediator of RNA polymerase II transcription subunit 18 / Mediator of RNA polymerase II transcription subunit 20 / Mediator of RNA polymerase II transcription subunit 8 / Mediator of RNA polymerase II transcription subunit 6 / Mediator of RNA polymerase II transcription subunit 11
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 4.3 Å
AuthorsImasaki, T. / Calero, G. / Cai, G. / Tsai, K.L. / Yamada, K. / Cardelli, F. / Erdjument-Bromage, H. / Tempst, P. / Berger, I. / Kornberg, G.L. ...Imasaki, T. / Calero, G. / Cai, G. / Tsai, K.L. / Yamada, K. / Cardelli, F. / Erdjument-Bromage, H. / Tempst, P. / Berger, I. / Kornberg, G.L. / Asturias, F.J. / Kornberg, R.D. / Takagi, Y.
CitationJournal: Nature / Year: 2011
Title: Architecture of the Mediator head module.
Authors: Imasaki, T. / Calero, G. / Cai, G. / Tsai, K.L. / Yamada, K. / Cardelli, F. / Erdjument-Bromage, H. / Tempst, P. / Berger, I. / Kornberg, G.L. / Asturias, F.J. / Kornberg, R.D. / Takagi, Y.
History
DepositionApr 14, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 27, 2011Provider: repository / Type: Initial release
Revision 1.1Aug 2, 2017Group: Advisory / Refinement description / Source and taxonomy
Category: entity_src_gen / pdbx_unobs_or_zero_occ_residues / software
Revision 1.2Nov 6, 2024Group: Advisory / Data collection ...Advisory / 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_unobs_or_zero_occ_residues / 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_entry_details.has_protein_modification / _struct_conn.pdbx_leaving_atom_flag / _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: Mediator of RNA polymerase II transcription subunit 11
B: Mediator of RNA polymerase II transcription subunit 17
C: Mediator of RNA polymerase II transcription subunit 8
D: Mediator of RNA polymerase II transcription subunit 22
E: Mediator of RNA polymerase II transcription subunit 18
F: Mediator of RNA polymerase II transcription subunit 20
G: Mediator of RNA polymerase II transcription subunit 6
H: Mediator of RNA polymerase II transcription subunit 11
I: Mediator of RNA polymerase II transcription subunit 17
J: Mediator of RNA polymerase II transcription subunit 8
K: Mediator of RNA polymerase II transcription subunit 22
L: Mediator of RNA polymerase II transcription subunit 18
M: Mediator of RNA polymerase II transcription subunit 20
N: Mediator of RNA polymerase II transcription subunit 6
O: Mediator of RNA polymerase II transcription subunit 11
P: Mediator of RNA polymerase II transcription subunit 17
Q: Mediator of RNA polymerase II transcription subunit 8
R: Mediator of RNA polymerase II transcription subunit 22
S: Mediator of RNA polymerase II transcription subunit 18
T: Mediator of RNA polymerase II transcription subunit 20
U: Mediator of RNA polymerase II transcription subunit 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)636,189119
Polymers628,45121
Non-polymers7,73898
Water00
1
A: Mediator of RNA polymerase II transcription subunit 11
B: Mediator of RNA polymerase II transcription subunit 17
C: Mediator of RNA polymerase II transcription subunit 8
D: Mediator of RNA polymerase II transcription subunit 22
E: Mediator of RNA polymerase II transcription subunit 18
F: Mediator of RNA polymerase II transcription subunit 20
G: Mediator of RNA polymerase II transcription subunit 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)211,85237
Polymers209,4847
Non-polymers2,36930
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
H: Mediator of RNA polymerase II transcription subunit 11
I: Mediator of RNA polymerase II transcription subunit 17
J: Mediator of RNA polymerase II transcription subunit 8
K: Mediator of RNA polymerase II transcription subunit 22
L: Mediator of RNA polymerase II transcription subunit 18
M: Mediator of RNA polymerase II transcription subunit 20
N: Mediator of RNA polymerase II transcription subunit 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)212,32643
Polymers209,4847
Non-polymers2,84336
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
O: Mediator of RNA polymerase II transcription subunit 11
P: Mediator of RNA polymerase II transcription subunit 17
Q: Mediator of RNA polymerase II transcription subunit 8
R: Mediator of RNA polymerase II transcription subunit 22
S: Mediator of RNA polymerase II transcription subunit 18
T: Mediator of RNA polymerase II transcription subunit 20
U: Mediator of RNA polymerase II transcription subunit 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)212,01039
Polymers209,4847
Non-polymers2,52732
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)265.914, 265.914, 319.948
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number154
Space group name H-MP3221
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
12
22
32
13
23
33
14
24
34
15
25
35
16
26
36
17
27
37

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111chain A
211chain H
311chain O
112chain B
212chain I
312chain P
113chain C
213chain J
313chain Q
114chain D
214chain K
314chain R
115chain E
215chain L
315chain S
116chain F
216chain M
316chain T
117chain G
217chain N
317chain U

NCS ensembles :
ID
1
2
3
4
5
6
7

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Components

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Mediator of RNA polymerase II transcription subunit ... , 7 types, 21 molecules AHOBIPCJQDKRELSFMTGNU

#1: Protein Mediator of RNA polymerase II transcription subunit 11 / Mediator complex subunit 11


Mass: 15240.751 Da / Num. of mol.: 3 / Mutation: T16G, M17S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: MED11, YMR112C, YM9718.11C / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q99278
#2: Protein Mediator of RNA polymerase II transcription subunit 17 / Mediator complex subunit 17 / Suppressor of RNA polymerase B 4


Mass: 66912.102 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: SRB4, MED17, YER022W / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P32569
#3: Protein Mediator of RNA polymerase II transcription subunit 8 / Mediator complex subunit 8


Mass: 25484.814 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: MED8, YBR193C, YBR1403 / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P38304
#4: Protein Mediator of RNA polymerase II transcription subunit 22 / Mediator complex subunit 22 / Suppressor of RNA polymerase B 6


Mass: 14110.207 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: SRB6, MED22, YBR253W, YBR1721 / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P32570
#5: Protein Mediator of RNA polymerase II transcription subunit 18 / Mediator complex subunit 18 / Suppressor of RNA polymerase B 5


Mass: 31128.746 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: SRB5, MED18, YGR104C / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P32585
#6: Protein Mediator of RNA polymerase II transcription subunit 20 / Hyper-recombination suppressor protein 2 / Mediator complex subunit 20 / Suppressor of RNA polymerase B 2


Mass: 23105.650 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: SRB2, HRS2, MED20, YHR041C / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P34162
#7: Protein Mediator of RNA polymerase II transcription subunit 6 / Mediator complex subunit 6


Mass: 33501.270 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: MED6, MTR32, YHR058C / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P38782

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Non-polymers , 1 types, 98 molecules

#8: Chemical...
ChemComp-SE / SELENIUM ATOM


Mass: 78.960 Da / Num. of mol.: 98 / Source method: obtained synthetically / Formula: Se

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Details

Has protein modificationY
Sequence detailsAUTHORS STATE THAT RESIDUES 1094-1101, 1028-1038, 1316-1323, 1619-1627, 1719-1727 OF MED17 ARE PART ...AUTHORS STATE THAT RESIDUES 1094-1101, 1028-1038, 1316-1323, 1619-1627, 1719-1727 OF MED17 ARE PART OF THE RESIDUE REGION 617-668, HOWEVER, THE IDENTITY OF THESE RESIDUES IS UNCLEAR. THE RESIDUES ARE DEFINED AS UNK (UNKNOWN RESIDUE) IN THE COORDINATES. N-TERMINUS 1-108 RESIDUES OF MED17 WERE DELETED, AND 10 X HIS-TAG WAS FUSED TO ITS N-TERMINUS. RESIDUES 109-140 OF MED18 WERE DELETED.

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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: 5.25 Å3/Da / Density % sol: 76.56 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.6
Details: 0.1 M Tris-HCl (pH 7.6) containing 10-12.5% (w/v) PEG-6K, and 0.4 M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 0.97948 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Nov 9, 2009
RadiationMonochromator: 23ID-B / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97948 Å / Relative weight: 1
ReflectionResolution: 4.3→50 Å / Num. all: 89531 / Num. obs: 89531 / % possible obs: 92.6 % / Redundancy: 6.5 % / Rmerge(I) obs: 0.084 / Net I/σ(I): 8.9

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHASERphasing
PHENIX(phenix.refine: 1.7_650)refinement
HKL-2000data reduction
SCALEPACKdata scaling
RefinementMethod to determine structure: SAD / Resolution: 4.3→49.911 Å / σ(F): 0.06 / Phase error: 73.84 / Stereochemistry target values: TWIN_LSQ_F
Details: Positions of Se were those used for phasing. Due to the resolution the side chains for MSE residues could not be modeled.
RfactorNum. reflection% reflection
Rfree0.3726 4269 5.18 %
Rwork0.3451 --
obs0.3477 82491 92.63 %
all-89531 -
Solvent computationShrinkage radii: 0 Å / VDW probe radii: 0.3 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 298.504 Å2 / ksol: 0.242 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-2.6587 Å2-0 Å2-0 Å2
2--2.6587 Å20 Å2
3----5.3174 Å2
Refinement stepCycle: LAST / Resolution: 4.3→49.911 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17847 0 98 0 17945
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00717766
X-RAY DIFFRACTIONf_angle_d1.54424669
X-RAY DIFFRACTIONf_dihedral_angle_d8.7113513
X-RAY DIFFRACTIONf_chiral_restr0.0793471
X-RAY DIFFRACTIONf_plane_restr0.0063513
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11A468X-RAY DIFFRACTIONPOSITIONAL
12H468X-RAY DIFFRACTIONPOSITIONAL0.001
13O468X-RAY DIFFRACTIONPOSITIONAL0.001
21B1583X-RAY DIFFRACTIONPOSITIONAL
22I1583X-RAY DIFFRACTIONPOSITIONAL0.119
23P1583X-RAY DIFFRACTIONPOSITIONAL0.212
31C791X-RAY DIFFRACTIONPOSITIONAL
32J791X-RAY DIFFRACTIONPOSITIONAL0
33Q791X-RAY DIFFRACTIONPOSITIONAL0.001
41D440X-RAY DIFFRACTIONPOSITIONAL
42K440X-RAY DIFFRACTIONPOSITIONAL0
43R440X-RAY DIFFRACTIONPOSITIONAL0.001
51E1141X-RAY DIFFRACTIONPOSITIONAL
52L1141X-RAY DIFFRACTIONPOSITIONAL0
53S1141X-RAY DIFFRACTIONPOSITIONAL0.001
61F1012X-RAY DIFFRACTIONPOSITIONAL
62M1012X-RAY DIFFRACTIONPOSITIONAL0
63T1012X-RAY DIFFRACTIONPOSITIONAL0.001
71G514X-RAY DIFFRACTIONPOSITIONAL
72N514X-RAY DIFFRACTIONPOSITIONAL0
73U514X-RAY DIFFRACTIONPOSITIONAL0.001
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
4.3-4.37410.35931760.32193615X-RAY DIFFRACTION82
4.3741-4.45360.33252080.30853610X-RAY DIFFRACTION82
4.4536-4.53910.32471930.31423644X-RAY DIFFRACTION83
4.5391-4.63170.33451790.3193740X-RAY DIFFRACTION84
4.6317-4.73230.33791880.31773753X-RAY DIFFRACTION85
4.7323-4.84230.34382070.30963797X-RAY DIFFRACTION86
4.8423-4.96320.33242140.31153783X-RAY DIFFRACTION86
4.9632-5.09730.34312110.3213832X-RAY DIFFRACTION87
5.0973-5.2470.36781910.31543839X-RAY DIFFRACTION87
5.247-5.41610.40141930.33063876X-RAY DIFFRACTION87
5.4161-5.60940.36052090.32863882X-RAY DIFFRACTION88
5.6094-5.83350.38292090.33043898X-RAY DIFFRACTION88
5.8335-6.09840.33962080.3433963X-RAY DIFFRACTION89
6.0984-6.41910.39722020.34713987X-RAY DIFFRACTION90
6.4191-6.82010.40862120.37634090X-RAY DIFFRACTION91
6.8201-7.34460.36832070.39724028X-RAY DIFFRACTION91
7.3446-8.080.42182070.38684167X-RAY DIFFRACTION93
8.08-9.24070.35032220.35254236X-RAY DIFFRACTION93
9.2407-11.61010.36592200.31934251X-RAY DIFFRACTION94
11.6101-45.46170.41842080.39944417X-RAY DIFFRACTION94
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)
10.17140.05110.15380.05380.18740.69320.532-0.0242-0.2708-0.0013-0.2043-0.08920.59870.31090.23870.38020.0304-0.08210.74010.49621.0935-20.7549115.3848131.163
20.00330.00270.00090.0037-0.00290.00440.01350.01650.0042-0.1111-0.0227-0.00260.0047-0.1014-01.5087-0.05470.05441.39960.01641.5665-38.4003125.3036152.0138
30.0699-0.0110.01790.0492-0.03490.1016-0.0156-0.00870.00430.13970.04110.0331-0.04710.01160.09190.01310.36230.1760.45410.65760.8859-24.6747124.5745145.1036
40.0130.0229-0.04070.0980.05530.0762-0.03890.08450.01990.1793-0.2472-0.11760.03990.24260.00361.12910.3174-0.6461.27670.03281.6091-0.0092124.1131119.2152
50.0141-0.0073-0.00270.0093-0.00540.01360.01260.10280.04740.0390.0241-0.00390.04040.0408-0.00050.74670.7466-0.00021.5969-0.39950.884824.6274138.7625100.8635
60.8820.14250.29170.7963-0.7450.1880.313-0.81320.21561.4696-0.4888-0.17480.58450.2921-0.07460.02820.667-0.50570.6112-0.35780.6142-1.5998120.6287153.2054
70.00630.00760.00570.0087-0.00570.0156-0.2112-0.08320.04120.2231-0.01920.01890.00380.2874-02.4967-0.49160.25632.0514-0.37712.188936.2697149.5065115.5516
81.1717-0.160.14331.781-1.6331.5123-0.68610.49290.41030.1791-0.8007-0.162-0.2420.1026-1.12091.0549-0.5131-0.36610.648-0.32510.889642.2563130.8992107.1051
90.01890.11110.00730.23190.0208-0.0101-0.70580.2531-0.05560.04530.0556-0.9508-0.1930.4611-0.42170.7713-0.423-0.5651.5823-0.15521.661756.0128125.55695.6135
100.00710.00720.0184-0.0021-0.00160.01630.00940.042-0.059-0.00660.003-0.01830.09440.11530.03121.38730.28340.61491.44890.13460.4682-6.6523102.0943169.4124
110.00350.00230.01520.00180.00980.06010.00820.0660.0162-0.01670.01780.0045-0.02320.0058-0.00012.3514-0.26390.33422.4307-0.2522.2377.0577117.672156.7367
120.4129-0.27150.59580.1857-0.39450.84830.4031-0.5689-0.06460.1928-0.07740.09630.2342-0.69330.07881.1773-0.075-0.30720.8598-0.39681.1469-13.6014106.1012163.6411
130.01270.00520.0117-0.00060.00370.00250.0315-0.1935-0.04730.1486-0.0551-0.0806-0.14970.3451-01.6207-0.0130.00021.5487-0.24851.3208-11.3156102.7259189.4083
140.0264-0.00250.01810.00150.00170.01760.0168-0.03820.0216-0.0270.1013-0.0492-0.00990.0442-0.00011.73190.07530.21351.5506-0.22841.4033-6.3295111.2694186.9304
150.0042-0.0007-0.00110.0019-0.00310.0038-0.0341-0.00430.0116-0.01120.02880.02530.01890.0299-02.43050.10570.11652.45280.25122.3541-19.149122.6658174.5088
160.00320.00110.00310.00130.00460.002-0.0738-0.07150.04650.0905-0.01390.0158-0.06940.0697-02.06140.0404-0.32662.123-0.59872.1912-38.917124.497171.2002
170.0397-0.02570.01430.0413-0.01320.00610.15690.198-0.0107-0.223-0.1738-0.04090.05440.10170.07470.23990.42150.41530.48460.03660.478-39.18115.1361156.983
180.1673-0.12070.0670.3733-0.36230.39570.14090.2559-0.2592-0.0798-0.301-0.37450.31440.6092-0.20260.45240.1094-0.40231.0654-0.42081.268-19.8315102.7136132.794
190.0035-0.0007-0.00270.00030.00050.00140.04360.0504-0.02210.01170.01510.00070.01340.022702.1492-0.0524-0.05442.01770.10332.606518.254481.0731118.9195
200.006-0.0028-0.00580.00160.00260.0060.0344-0.0482-0.0011-0.00360.0103-0.07810.0255-0.0317-00.67720.2116-0.11420.8474-0.44621.0113-6.626105.3333132.9439
210.0316-0.0103-0.02250.0112-0.00130.0226-0.03450.01650.01310.038-0.0263-0.0024-0.03640.0444-0.02840.82870.6814-0.27180.77930.05720.5207-15.9704108.6447139.8087
220.2062-0.07020.08220.42040.09670.1059-0.0347-0.28930.13930.40370.1419-0.0565-0.0019-0.02930.08310.88370.762-0.26880.99970.02941.4054-25.0028112.0956153.9958
230.04510.0192-0.02740.03420.03680.08380.0376-0.3199-0.0715-0.03080.0818-0.12720.0306-0.18410.11220.59660.2811-0.7510.7978-0.19041.1578-14.8319116.0616150.3145
240.2021-0.0990.20730.1377-0.0770.2245-0.1409-0.3157-0.1690.25550.2350.3505-0.1997-0.4019-0.05310.6661-0.72170.03330.38820.57581.004623.481128.1086104.445
250.07660.0683-0.14520.1115-0.17390.32260.2228-0.5168-0.2778-0.2942-0.4025-0.68120.65830.633-0.1781.6549-0.1425-0.31391.1393-0.562.040222.91794.2223112.3022
260.0301-0.073-0.03270.05190.03950.01930.13160.3908-0.2330.06910.16750.5397-0.3386-0.49402.51310.06160.08762.2399-0.11982.400226.929890.2601111.1681
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1160.00470.0096-0.01020.0119-0.01240.01040.0627-0.1073-0.02040.1949-0.2318-0.1107-0.05260.138301.13630.35010.22091.2957-0.20421.225365.9922166.749225.9489
1170.2462-0.13630.04490.58880.2250.6143-0.2253-0.1144-0.08180.2612-0.0667-0.05840.30660.2064-0.1925-0.12460.491-0.35410.51720.88380.866346.45158.8822201.6387
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resseq 21:52)
2X-RAY DIFFRACTION2chain 'A' and (resseq 53:60)
3X-RAY DIFFRACTION3chain 'A' and (resseq 61:75)
4X-RAY DIFFRACTION4chain 'A' and (resseq 76:118)
5X-RAY DIFFRACTION5chain 'A' and (resseq 119:129)
6X-RAY DIFFRACTION6chain 'B' and (resseq 197:453)
7X-RAY DIFFRACTION7chain 'B' and (resseq 454:502)
8X-RAY DIFFRACTION8chain 'B' and (resseq 503:574)
9X-RAY DIFFRACTION9chain 'B' and (resseq 575:1727)
10X-RAY DIFFRACTION10chain 'C' and (resseq 29:54)
11X-RAY DIFFRACTION11chain 'C' and (resseq 55:62)
12X-RAY DIFFRACTION12chain 'C' and (resseq 63:92)
13X-RAY DIFFRACTION13chain 'C' and (resseq 93:106)
14X-RAY DIFFRACTION14chain 'C' and (resseq 107:116)
15X-RAY DIFFRACTION15chain 'C' and (resseq 117:132)
16X-RAY DIFFRACTION16chain 'C' and (resseq 133:145)
17X-RAY DIFFRACTION17chain 'C' and (resseq 146:161)
18X-RAY DIFFRACTION18chain 'C' and (resseq 162:198)
19X-RAY DIFFRACTION19chain 'C' and (resseq 199:210)
20X-RAY DIFFRACTION20chain 'D' and (resseq 4:11)
21X-RAY DIFFRACTION21chain 'D' and (resseq 12:21)
22X-RAY DIFFRACTION22chain 'D' and (resseq 22:47)
23X-RAY DIFFRACTION23chain 'D' and (resseq 48:77)
24X-RAY DIFFRACTION24chain 'D' and (resseq 78:120)
25X-RAY DIFFRACTION25chain 'E' and (resseq 2:82)
26X-RAY DIFFRACTION26chain 'E' and (resseq 83:258)
27X-RAY DIFFRACTION27chain 'E' and (resseq 259:300)
28X-RAY DIFFRACTION28chain 'F' and (resseq 2:36)
29X-RAY DIFFRACTION29chain 'F' and (resseq 37:56)
30X-RAY DIFFRACTION30chain 'F' and (resseq 57:134)
31X-RAY DIFFRACTION31chain 'F' and (resseq 135:160)
32X-RAY DIFFRACTION32chain 'F' and (resseq 161:198)
33X-RAY DIFFRACTION33chain 'F' and (resseq 199:210)
34X-RAY DIFFRACTION34chain 'G' and (resseq 14:51)
35X-RAY DIFFRACTION35chain 'G' and (resseq 52:80)
36X-RAY DIFFRACTION36chain 'G' and (resseq 81:100)
37X-RAY DIFFRACTION37chain 'G' and (resseq 101:190)
38X-RAY DIFFRACTION38chain 'H' and (resseq 21:52)
39X-RAY DIFFRACTION39chain 'H' and (resseq 53:60)
40X-RAY DIFFRACTION40chain 'H' and (resseq 61:75)
41X-RAY DIFFRACTION41chain 'H' and (resseq 76:118)
42X-RAY DIFFRACTION42chain 'H' and (resseq 119:129)
43X-RAY DIFFRACTION43chain 'I' and (resseq 197:453)
44X-RAY DIFFRACTION44chain 'I' and (resseq 454:502)
45X-RAY DIFFRACTION45chain 'I' and (resseq 503:524)
46X-RAY DIFFRACTION46chain 'I' and (resseq 525:683)
47X-RAY DIFFRACTION47chain 'I' and (resseq 684:1727)
48X-RAY DIFFRACTION48chain 'J' and (resseq 29:54)
49X-RAY DIFFRACTION49chain 'J' and (resseq 55:62)
50X-RAY DIFFRACTION50chain 'J' and (resseq 63:92)
51X-RAY DIFFRACTION51chain 'J' and (resseq 93:106)
52X-RAY DIFFRACTION52chain 'J' and (resseq 107:116)
53X-RAY DIFFRACTION53chain 'J' and (resseq 117:132)
54X-RAY DIFFRACTION54chain 'J' and (resseq 133:145)
55X-RAY DIFFRACTION55chain 'J' and (resseq 146:161)
56X-RAY DIFFRACTION56chain 'J' and (resseq 162:198)
57X-RAY DIFFRACTION57chain 'J' and (resseq 199:210)
58X-RAY DIFFRACTION58chain 'K' and (resseq 4:11)
59X-RAY DIFFRACTION59chain 'K' and (resseq 12:21)
60X-RAY DIFFRACTION60chain 'K' and (resseq 22:47)
61X-RAY DIFFRACTION61chain 'K' and (resseq 48:120)
62X-RAY DIFFRACTION62chain 'L' and (resseq 2:25)
63X-RAY DIFFRACTION63chain 'L' and (resseq 26:63)
64X-RAY DIFFRACTION64chain 'L' and (resseq 64:170)
65X-RAY DIFFRACTION65chain 'L' and (resseq 171:258)
66X-RAY DIFFRACTION66chain 'L' and (resseq 259:282)
67X-RAY DIFFRACTION67chain 'L' and (resseq 283:300)
68X-RAY DIFFRACTION68chain 'M' and (resseq 2:56)
69X-RAY DIFFRACTION69chain 'M' and (resseq 57:134)
70X-RAY DIFFRACTION70chain 'M' and (resseq 135:198)
71X-RAY DIFFRACTION71chain 'M' and (resseq 199:210)
72X-RAY DIFFRACTION72chain 'N' and (resseq 14:51)
73X-RAY DIFFRACTION73chain 'N' and (resseq 52:80)
74X-RAY DIFFRACTION74chain 'N' and (resseq 81:100)
75X-RAY DIFFRACTION75chain 'N' and (resseq 101:190)
76X-RAY DIFFRACTION76chain 'O' and (resseq 21:52)
77X-RAY DIFFRACTION77chain 'O' and (resseq 53:60)
78X-RAY DIFFRACTION78chain 'O' and (resseq 61:75)
79X-RAY DIFFRACTION79chain 'O' and (resseq 76:118)
80X-RAY DIFFRACTION80chain 'O' and (resseq 119:129)
81X-RAY DIFFRACTION81chain 'P' and (resseq 197:453)
82X-RAY DIFFRACTION82chain 'P' and (resseq 454:502)
83X-RAY DIFFRACTION83chain 'P' and (resseq 503:524)
84X-RAY DIFFRACTION84chain 'P' and (resseq 525:683)
85X-RAY DIFFRACTION85chain 'P' and (resseq 684:1036)
86X-RAY DIFFRACTION86chain 'P' and (resseq 1037:1727)
87X-RAY DIFFRACTION87chain 'Q' and (resseq 29:54)
88X-RAY DIFFRACTION88chain 'Q' and (resseq 55:62)
89X-RAY DIFFRACTION89chain 'Q' and (resseq 63:92)
90X-RAY DIFFRACTION90chain 'Q' and (resseq 93:106)
91X-RAY DIFFRACTION91chain 'Q' and (resseq 107:116)
92X-RAY DIFFRACTION92chain 'Q' and (resseq 117:132)
93X-RAY DIFFRACTION93chain 'Q' and (resseq 133:145)
94X-RAY DIFFRACTION94chain 'Q' and (resseq 146:161)
95X-RAY DIFFRACTION95chain 'Q' and (resseq 162:167)
96X-RAY DIFFRACTION96chain 'Q' and (resseq 168:198)
97X-RAY DIFFRACTION97chain 'Q' and (resseq 199:210)
98X-RAY DIFFRACTION98chain 'R' and (resseq 4:11)
99X-RAY DIFFRACTION99chain 'R' and (resseq 12:21)
100X-RAY DIFFRACTION100chain 'R' and (resseq 22:47)
101X-RAY DIFFRACTION101chain 'R' and (resseq 48:77)
102X-RAY DIFFRACTION102chain 'R' and (resseq 78:120)
103X-RAY DIFFRACTION103chain 'S' and (resseq 2:25)
104X-RAY DIFFRACTION104chain 'S' and (resseq 26:38)
105X-RAY DIFFRACTION105chain 'S' and (resseq 39:82)
106X-RAY DIFFRACTION106chain 'S' and (resseq 83:188)
107X-RAY DIFFRACTION107chain 'S' and (resseq 189:258)
108X-RAY DIFFRACTION108chain 'S' and (resseq 259:282)
109X-RAY DIFFRACTION109chain 'S' and (resseq 283:300)
110X-RAY DIFFRACTION110chain 'T' and (resseq 2:56)
111X-RAY DIFFRACTION111chain 'T' and (resseq 57:134)
112X-RAY DIFFRACTION112chain 'T' and (resseq 135:198)
113X-RAY DIFFRACTION113chain 'T' and (resseq 199:210)
114X-RAY DIFFRACTION114chain 'U' and (resseq 14:51)
115X-RAY DIFFRACTION115chain 'U' and (resseq 52:80)
116X-RAY DIFFRACTION116chain 'U' and (resseq 81:100)
117X-RAY DIFFRACTION117chain 'U' and (resseq 101:190)

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