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- PDB-6vme: Human ESCRT-I heterotetramer headpiece -

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Basic information

Entry
Database: PDB / ID: 6vme
TitleHuman ESCRT-I heterotetramer headpiece
Components
  • Multivesicular body subunit 12AEndosome
  • Tumor susceptibility gene 101 proteinTSG101
  • Vacuolar protein sorting-associated protein 28 homologVacuole
  • Vacuolar protein sorting-associated protein 37BVacuole
KeywordsPROTEIN TRANSPORT / Endosomal transport / HIV release / macroautophagy
Function / homology
Function and homology information


virus maturation / : / positive regulation of viral budding via host ESCRT complex / positive regulation of ubiquitin-dependent endocytosis / extracellular transport / regulation of epidermal growth factor receptor signaling pathway / intracellular transport of virus / ESCRT I complex / negative regulation of epidermal growth factor-activated receptor activity / regulation of extracellular exosome assembly ...virus maturation / : / positive regulation of viral budding via host ESCRT complex / positive regulation of ubiquitin-dependent endocytosis / extracellular transport / regulation of epidermal growth factor receptor signaling pathway / intracellular transport of virus / ESCRT I complex / negative regulation of epidermal growth factor-activated receptor activity / regulation of extracellular exosome assembly / viral budding / regulation of MAP kinase activity / exosomal secretion / protein transport to vacuole involved in ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway / receptor catabolic process / protein targeting to vacuole / membrane fission / positive regulation of exosomal secretion / ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway / endosome to lysosome transport via multivesicular body sorting pathway / multivesicular body assembly / host cell / Flemming body / protein targeting to membrane / virion binding / endosomal transport / endosome to lysosome transport / negative regulation of epidermal growth factor receptor signaling pathway / viral budding via host ESCRT complex / autophagosome maturation / viral release from host cell / keratinocyte differentiation / negative regulation of protein ubiquitination / viral life cycle / Membrane binding and targetting of GAG proteins / Endosomal Sorting Complex Required For Transport (ESCRT) / multivesicular body / HCMV Late Events / ubiquitin binding / regulation of cell growth / macroautophagy / Late endosomal microautophagy / protein modification process / Budding and maturation of HIV virion / SH3 domain binding / positive regulation of protein catabolic process / calcium-dependent protein binding / transcription corepressor activity / late endosome / protein transport / late endosome membrane / midbody / early endosome membrane / vesicle / early endosome / endosome membrane / regulation of cell cycle / endosome / cell cycle / cell division / negative regulation of cell population proliferation / intracellular membrane-bounded organelle / centrosome / lipid binding / ubiquitin protein ligase binding / protein-containing complex binding / nucleolus / Golgi apparatus / negative regulation of transcription by RNA polymerase II / protein homodimerization activity / DNA binding / extracellular exosome / nucleoplasm / plasma membrane / cytosol / cytoplasm
Similarity search - Function
Multivesicular body subunit 12A / Multivesicular body subunit 12 / Multivesicular body subunit 12 / Helix Hairpins - #820 / Modifier of rudimentary, Modr / UMA domain / Modifier of rudimentary (Mod(r)) protein / VPS37 C-terminal domain profile. / UMA domain profile. / MABP domain ...Multivesicular body subunit 12A / Multivesicular body subunit 12 / Multivesicular body subunit 12 / Helix Hairpins - #820 / Modifier of rudimentary, Modr / UMA domain / Modifier of rudimentary (Mod(r)) protein / VPS37 C-terminal domain profile. / UMA domain profile. / MABP domain / MABP domain profile. / Vacuolar protein sorting-associated Vps28 / Vacuolar protein sorting-associated, VPS28, N-terminal / Vacuolar protein sorting-associated, VPS28, C-terminal / VPS28, C-terminal domain superfamily / VPS28, N-terminal domain superfamily / VPS28 protein / VPS28 C-terminal domain profile. / VPS28 N-terminal domain profile. / Steadiness box (SB) domain / Vps23 core domain / Steadiness box (SB) domain profile. / Ubiquitin E2 variant, N-terminal / UEV domain / UEV domain profile. / ESCRT assembly domain / Helix hairpin bin domain superfamily / Ubiquitin-conjugating enzyme E2, catalytic domain homologues / Helix Hairpins / Ubiquitin-conjugating enzyme/RWD-like / Helix non-globular / Special
Similarity search - Domain/homology
Multivesicular body subunit 12A / Tumor susceptibility gene 101 protein / Vacuolar protein sorting-associated protein 37B / Vacuolar protein sorting-associated protein 28 homolog
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.19 Å
AuthorsFlower, T.G. / Hurley, J.H. / Tjahjono, N.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R37 AI112442 United States
CitationJournal: Nat.Struct.Mol.Biol. / Year: 2020
Title: A helical assembly of human ESCRT-I scaffolds reverse-topology membrane scission.
Authors: Flower, T.G. / Takahashi, Y. / Hudait, A. / Rose, K. / Tjahjono, N. / Pak, A.J. / Yokom, A.L. / Liang, X. / Wang, H.G. / Bouamr, F. / Voth, G.A. / Hurley, J.H.
History
DepositionJan 27, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 20, 2020Provider: repository / Type: Initial release
Revision 1.1Jun 3, 2020Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Jun 24, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Oct 11, 2023Group: 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
B: Tumor susceptibility gene 101 protein
C: Vacuolar protein sorting-associated protein 37B
D: Multivesicular body subunit 12A
E: Vacuolar protein sorting-associated protein 28 homolog
F: Tumor susceptibility gene 101 protein
G: Tumor susceptibility gene 101 protein
H: Tumor susceptibility gene 101 protein
I: Tumor susceptibility gene 101 protein
J: Tumor susceptibility gene 101 protein
K: Vacuolar protein sorting-associated protein 37B
L: Vacuolar protein sorting-associated protein 37B
M: Vacuolar protein sorting-associated protein 37B
N: Vacuolar protein sorting-associated protein 37B
O: Vacuolar protein sorting-associated protein 37B
P: Multivesicular body subunit 12A
Q: Multivesicular body subunit 12A
R: Multivesicular body subunit 12A
A: Multivesicular body subunit 12A
T: Multivesicular body subunit 12A
U: Vacuolar protein sorting-associated protein 28 homolog
V: Vacuolar protein sorting-associated protein 28 homolog
W: Vacuolar protein sorting-associated protein 28 homolog
X: Vacuolar protein sorting-associated protein 28 homolog
Y: Vacuolar protein sorting-associated protein 28 homolog


Theoretical massNumber of molelcules
Total (without water)204,22224
Polymers204,22224
Non-polymers00
Water5,549308
1
B: Tumor susceptibility gene 101 protein
C: Vacuolar protein sorting-associated protein 37B
D: Multivesicular body subunit 12A
E: Vacuolar protein sorting-associated protein 28 homolog


Theoretical massNumber of molelcules
Total (without water)34,0374
Polymers34,0374
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7490 Å2
ΔGint-52 kcal/mol
Surface area13360 Å2
MethodPISA
2
F: Tumor susceptibility gene 101 protein
K: Vacuolar protein sorting-associated protein 37B
P: Multivesicular body subunit 12A
U: Vacuolar protein sorting-associated protein 28 homolog


Theoretical massNumber of molelcules
Total (without water)34,0374
Polymers34,0374
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7450 Å2
ΔGint-53 kcal/mol
Surface area13430 Å2
MethodPISA
3
G: Tumor susceptibility gene 101 protein
L: Vacuolar protein sorting-associated protein 37B
Q: Multivesicular body subunit 12A
V: Vacuolar protein sorting-associated protein 28 homolog


Theoretical massNumber of molelcules
Total (without water)34,0374
Polymers34,0374
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7380 Å2
ΔGint-51 kcal/mol
Surface area13050 Å2
MethodPISA
4
H: Tumor susceptibility gene 101 protein
M: Vacuolar protein sorting-associated protein 37B
R: Multivesicular body subunit 12A
W: Vacuolar protein sorting-associated protein 28 homolog


Theoretical massNumber of molelcules
Total (without water)34,0374
Polymers34,0374
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7370 Å2
ΔGint-56 kcal/mol
Surface area13510 Å2
MethodPISA
5
I: Tumor susceptibility gene 101 protein
N: Vacuolar protein sorting-associated protein 37B
A: Multivesicular body subunit 12A
X: Vacuolar protein sorting-associated protein 28 homolog


Theoretical massNumber of molelcules
Total (without water)34,0374
Polymers34,0374
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7410 Å2
ΔGint-52 kcal/mol
Surface area13240 Å2
MethodPISA
6
J: Tumor susceptibility gene 101 protein
O: Vacuolar protein sorting-associated protein 37B
T: Multivesicular body subunit 12A
Y: Vacuolar protein sorting-associated protein 28 homolog


Theoretical massNumber of molelcules
Total (without water)34,0374
Polymers34,0374
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7150 Å2
ΔGint-53 kcal/mol
Surface area12660 Å2
MethodPISA
Unit cell
Length a, b, c (Å)162.584, 162.584, 139.715
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number169
Space group name H-MP61
Space group name HallP61
Symmetry operation#1: x,y,z
#2: x-y,x,z+1/6
#3: y,-x+y,z+5/6
#4: -y,x-y,z+1/3
#5: -x+y,-x,z+2/3
#6: -x,-y,z+1/2

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Components

#1: Protein
Tumor susceptibility gene 101 protein / TSG101 / ESCRT-I complex subunit TSG101


Mass: 9343.720 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TSG101 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: Q99816
#2: Protein
Vacuolar protein sorting-associated protein 37B / Vacuole / hVps37B / ESCRT-I complex subunit VPS37B


Mass: 8061.243 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: VPS37B / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: Q9H9H4
#3: Protein/peptide
Multivesicular body subunit 12A / Endosome / CIN85/CD2AP family-binding protein / ESCRT-I complex subunit MVB12A / Protein FAM125A


Mass: 2655.937 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MVB12A, CFBP, FAM125A / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: Q96EY5
#4: Protein
Vacuolar protein sorting-associated protein 28 homolog / Vacuole / H-Vps28 / ESCRT-I complex subunit VPS28


Mass: 13976.124 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: VPS28 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: Q9UK41
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 308 / Source method: isolated from a natural source / Formula: H2O

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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: 2.61 Å3/Da / Density % sol: 52.88 %
Crystal growTemperature: 291.15 K / Method: vapor diffusion, hanging drop / pH: 5
Details: 2 % w/v gamma-Polyglutamic acid (gamma-PGA), 100 mM sodium formate, 100 mM sodium acetate pH 5.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.11583 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Oct 1, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.11583 Å / Relative weight: 1
ReflectionResolution: 2.19→99.18 Å / Num. obs: 107460 / % possible obs: 99.46 % / Redundancy: 20 % / Biso Wilson estimate: 48.48 Å2 / CC1/2: 0.999 / CC star: 1 / Rpim(I) all: 0.04189 / Net I/σ(I): 17.22
Reflection shellResolution: 2.19→2.269 Å / Num. unique obs: 10167 / CC1/2: 0.281 / % possible all: 95.09

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Processing

Software
NameVersionClassification
Blu-Icedata collection
PHENIX1.17_3644refinement
XDSdata reduction
PHASERphasing
Aimlessdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2F66

2f66


Resolution: 2.19→99.18 Å / SU ML: 0.2757 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.3667
RfactorNum. reflection% reflection
Rfree0.2396 1998 1.87 %
Rwork0.1934 --
obs0.1943 106911 99.17 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 61.12 Å2
Refinement stepCycle: LAST / Resolution: 2.19→99.18 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12478 0 0 308 12786
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00812642
X-RAY DIFFRACTIONf_angle_d0.885116991
X-RAY DIFFRACTIONf_chiral_restr0.04511955
X-RAY DIFFRACTIONf_plane_restr0.00562165
X-RAY DIFFRACTIONf_dihedral_angle_d9.89821716
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.19-2.240.34361300.29866728X-RAY DIFFRACTION89.47
2.24-2.30.3121390.28257477X-RAY DIFFRACTION99.36
2.3-2.370.33121390.27367516X-RAY DIFFRACTION99.84
2.37-2.450.31621470.25487548X-RAY DIFFRACTION99.94
2.45-2.540.29661400.24137536X-RAY DIFFRACTION99.97
2.54-2.640.29691440.22797520X-RAY DIFFRACTION99.96
2.64-2.760.27531460.21227584X-RAY DIFFRACTION99.96
2.76-2.90.25031430.20027538X-RAY DIFFRACTION100
2.9-3.080.26261380.18777515X-RAY DIFFRACTION100
3.08-3.320.25091430.1897553X-RAY DIFFRACTION99.97
3.32-3.660.22181440.16597563X-RAY DIFFRACTION99.97
3.66-4.190.21621470.16477581X-RAY DIFFRACTION99.97
4.19-5.270.19081460.16577580X-RAY DIFFRACTION99.99
5.27-99.180.23721520.20267674X-RAY DIFFRACTION99.91
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)
10.471015818462-0.1332788381050.9426419775930.07687034464070.2075949116190.147959396135-0.181564173603-0.2084759015450.0470232648188-0.01852461175460.1296836396870.207692788528-0.0561068349767-0.213311344629.1658517776E-50.426404892817-0.0532722653796-0.01900014205830.3846933935160.006516678134080.38100618821333.8750775394-35.211458904424.1693073293
20.3520455701620.106938284210.4742312168430.924354220561-0.1417093719430.609302821244-0.257153975993-0.5909008328860.603609123053-0.05599066730630.04524596426430.216167634065-0.1177408660340.01887434938060.0002389508477610.441945825251-0.0268454805122-0.04736533997810.3761403967350.03072420429030.47319991977924.6384643109-29.012752981222.1049242688
30.04610996433350.00473943962581-0.1476893096150.331478803132-0.1563006469190.364449438148-0.30467389407-0.1383241356070.0170391508654-0.8642489474970.335070850287-0.27473815129-0.1488091985830.161775154138-0.0004830015486250.480548059634-0.06821203506950.04328966825290.4755296893590.03804427646840.45819744819341.8727322969-34.09063707114.5883616822
40.2754293949880.1020282402770.06829084363220.03955156805740.07298899288030.09169685358810.8860873744971.17458837096-1.574322049450.328924114584-0.3816022195540.4386439206970.8695775569650.0447319014139-0.008729391026370.529998113046-0.0355959241184-0.04812273235480.550681016056-0.04720015229920.56564706404435.723911424-42.197142769117.002866882
50.277403066079-0.1751783752620.02033866964510.11236542761-0.0176864912922-0.0468117002813-0.06770535949540.198456043538-0.06871899012670.113824350547-0.1932397175440.6456517977370.02928760939450.3444730927730.0006136089374820.537293551087-0.0360325316867-0.09991123041980.5129441068790.02607719057040.38305327885523.6606269002-30.101132246412.9498541313
60.2013309164250.134119610922-0.5311114273350.101106787116-0.3627480111551.31957366071.843744471-0.5019115384460.1609952837860.861328391263-0.000125670446846-0.3990470582520.195634435037-1.211691635180.0637171418140.812845977801-0.030241257038-0.3341406212310.6359260447890.1759610842351.7590437760782.5820554569-13.21465774997.98132116356
70.5987463098730.837215458099-1.39023688711.15404808496-1.870818296383.18403517834-0.8835668993260.2104607971990.448924414503-0.8487369872511.0364279301-0.4826951580650.6461599100320.1940195131530.1091443126290.328168804760.1884579044430.005196292416080.562395148424-0.2700202286330.87272884636669.6671207029-12.79957222641.41108396535
80.8741810897430.1115107755710.6694207437580.638465336809-0.7078102036991.141904092590.168924186714-0.0239773795257-0.2909263884560.0536721158453-0.09483955701060.075322597340.133808136946-0.1324625566583.51019886717E-50.4192680120480.0353677789086-0.01160315497460.416711536037-0.02861939804990.38514369761649.5663856111-3.414264054595.22432001317
91.142736673361.34267543850.2988162175741.516667627470.7204076442060.522683050107-0.1119904463280.1209884882210.13719862215-0.097801328528-0.0124906912620.8625752319960.1526386854880.05147802411216.41108891119E-60.4721792585650.000920679832161-0.08940472671810.525639228863-0.1061210396340.49473755026138.82974538121.177175267665.02543097684
100.08987254181-0.0207098946485-0.02694901408380.0337525039119-0.1042049527910.281134667517-0.739123427337-0.705797173801-1.100808057031.14201280326-0.2094397286940.4271260499450.8227581395081.41957742754-0.00127142225740.633515902137-0.0732719777487-0.02803373184530.5526757384570.1336025526960.58043188246449.8632681151-14.808747243214.4171311182
112.945545433751.897145386720.7886315797751.299951013010.5288974431460.238664574835-0.71456017846-2.211222670460.4398662059060.931212843617-0.1799159300650.1744374413642.139514574070.853371193908-0.1146436734560.712665251387-0.01109572189670.034814737750.6938266317580.0139862989380.3545199540852.364902042-6.1975208293916.1101207881
120.139805308501-0.00773391213839-0.01161610039010.0575274087719-0.06379899489120.1941867521240.0248738937948-0.07846426406030.57374731337-0.4275113931770.110024485185-0.762534904238-0.107270730026-0.7026809696770.0001491695985940.6523418322860.065462548088-0.05837356651710.492582642205-0.04567950132550.52126541143854.3714593835-0.22235070591713.8723001155
130.18300980054-0.09255728023090.1131510647790.06013820573590.03704523625330.5688826661490.207994346042-0.5727083140741.218334808610.457572717549-0.8265574534070.9522198884230.28892099496-0.00393082525129-0.01516514502260.526376880051-0.02338061347150.05993973228530.412801890827-0.2195272007650.61309071136437.47865138652.6251498605713.9346514513
140.1555995393150.05771317029080.04248939973070.2022491304310.3693829639380.484013023277-0.6070730751720.3469050503990.2995375240410.800307017959-0.234161978496-0.901546767238-0.4024067850640.8781105821440.0003834906877460.6167440610480.0606166080645-0.1080846955830.5636538603960.07339170707720.74519458875567.9134452375-24.206557903288.5267371242
150.4136609279810.1582655098230.1572776855040.3575278581980.04870421517750.454030684240.179862537405-0.1986636993640.3522183153790.415411442069-0.1116024603820.02426365926640.243736064936-0.0441309843345-4.62425811797E-50.520346947164-0.00347400805998-0.05718219054460.347630152358-0.01793637313380.34245338124944.940075306-19.972651962680.8348228843
160.658100773726-0.4995948669990.2792139255191.60505152953-1.767760211381.81915506872-0.122576466831-0.06658565662890.4385901104210.0770374778290.09415542167990.612728459549-0.102474496394-0.2235146780920.0007146727207040.4318198811470.0318606060597-0.02372633797790.414366054391-0.06275854018810.39793559411634.2043082711-17.358940323278.4617078318
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630.0617494941630.008418516773630.03426070305610.191759893610.144295057850.229693213123-0.507445448122-0.8333978065610.0614146866050.299119034430.4993726293840.06548199450660.650438876213-0.0338528850541-0.01272954420780.4928636657760.07126291433910.005967762331830.744980287007-0.01532113892560.47117309056567.18763013655.2269965991913.995015244
641.96334814620.901455142766-0.4625826476431.351081281270.7570864608051.120736235930.1296863198160.19412138083-0.002349833836870.7266891491771.5223724038-0.6281233771081.00184090967-0.05496545611830.3136248135930.4597777110160.103916294111-0.08171920469670.7491512598260.2590474117631.0668828774582.72724619144.590648978467.6112981391
650.126088399049-0.0144561380343-0.08276664652390.0007018237122570.007859564666080.0378279653339-0.1026164390321.178040563910.3088649012430.4638908359450.0922884858847-0.311128072142-0.1348484691640.6856680165230.00164231091560.613081603505-0.0941788822201-0.01757317035070.666282867547-0.009373507784770.62740801268555.0063398936-36.2869935276.2419691019
660.376478049383-0.184928317787-0.2682776803221.16930433260.05970240838260.1689073586110.7536829805980.436445841827-1.40412116038-0.57593224599-0.1931326554460.175248413840.1292549067850.1678858569550.02578491067920.4156905792620.0350158609174-0.02665935979130.5711553294580.05060314233060.60286509212164.3365549313-43.061581860384.7386061826
670.3965599415990.145523442768-0.070303878760.1190286728550.002623586066670.0663730919455-0.7533452125220.843134677111-0.536529156114-0.4868885186970.642905484909-0.1811135656460.0879401165792-0.7027523074130.002226658436810.520298084095-0.0811612099507-0.03484004495170.5502114577590.1749212344430.69560435620829.2575473254-57.829936755263.9021673038
680.794457007311-1.0147633731-0.4344188102361.438251915230.4786652567330.3296649697260.2147771919070.202961485793-0.52663120483-0.25186991467-0.264859184447-0.9620652236930.07318860163140.09414271353610.0819979391690.801466751297-0.241149358839-0.2947159572320.4843292554290.06808057613481.2665608432135.0721842659-68.731237518769.2632708488
690.026496917924-0.1536799172380.08454982229960.284047715289-0.0356972108208-0.06563190497320.345570451083-0.4595566792820.3209311799380.3652893772980.1522640064-0.435752154232-0.2024513242980.1635444967860.001399908524630.48170661564-0.008463812289270.001351331259150.488197962278-0.113297695570.69550819935470.2283873442-13.620029701542.0366387093
700.3272660200060.5456874326171.04852900759-0.1783752634450.3217939001380.68966127381-0.1182510405380.04141641327010.2677466583860.0249031971110.08397637501690.321640310983-0.225554164796-0.0372083267815-0.001148186553750.409089248028-0.0448624005124-0.01547851504510.332508918065-0.01948851218080.43997645582944.9104376058-14.981593251935.6297774427
711.38345258169-0.973856154650.809422203621.283299152050.003857500831890.911324650296-0.383535238335-0.6626328751660.104152185532-0.1770402965380.006543039114050.220600624458-0.04893162075830.01312373884070.0001512874102620.4005613745140.0189009943953-0.03500466474980.322475063573-0.02955347117350.40814784039540.8821463094-8.448746459732.1550175878
720.2121333890690.02278698823380.4366224472690.238931010316-0.06286105405881.07313852665-0.1693439015990.292010848178-0.378776957002-0.2666340843630.1095657357110.1538383563610.1272752972120.117338393374-4.20076393247E-50.511152187381-0.00870305361321-0.05190079894050.427324028682-0.05340345063810.39044562953143.4569767382-14.682703875525.4890576418
730.66540494110.554060433391-0.1813811337560.558131603582-0.04131660485280.2177089123291.20715979691-0.147934032936-0.627493719016-0.6549651647520.0530847827484-0.6781550367850.2303105619671.331060025560.01782869860550.7445112995310.296852009762-0.06747507934310.6378497624560.03201499184050.88711641108158.7594278343-56.302310613729.645171523
740.1263673877740.0464292799505-0.09609605143610.1679455950660.1736280990460.2777215012130.2089944561220.175195980872-0.250350341148-0.213515851918-0.2032662551970.265860275142-0.393137896812-0.018595802991-0.0006168580872030.531776577608-0.0632160916904-0.09520439917580.43941062894-0.02759350478470.65190906719151.6174506638-43.016005696132.3304571969
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'V' and (resid 30 through 57 )
2X-RAY DIFFRACTION2chain 'V' and (resid 58 through 84 )
3X-RAY DIFFRACTION3chain 'V' and (resid 85 through 98 )
4X-RAY DIFFRACTION4chain 'V' and (resid 99 through 103 )
5X-RAY DIFFRACTION5chain 'V' and (resid 104 through 118 )
6X-RAY DIFFRACTION6chain 'W' and (resid 14 through 20 )
7X-RAY DIFFRACTION7chain 'W' and (resid 21 through 29 )
8X-RAY DIFFRACTION8chain 'W' and (resid 30 through 57 )
9X-RAY DIFFRACTION9chain 'W' and (resid 58 through 84 )
10X-RAY DIFFRACTION10chain 'W' and (resid 85 through 91 )
11X-RAY DIFFRACTION11chain 'W' and (resid 92 through 98 )
12X-RAY DIFFRACTION12chain 'W' and (resid 99 through 103 )
13X-RAY DIFFRACTION13chain 'W' and (resid 104 through 118 )
14X-RAY DIFFRACTION14chain 'X' and (resid 18 through 29 )
15X-RAY DIFFRACTION15chain 'X' and (resid 30 through 57 )
16X-RAY DIFFRACTION16chain 'X' and (resid 58 through 84 )
17X-RAY DIFFRACTION17chain 'X' and (resid 85 through 103 )
18X-RAY DIFFRACTION18chain 'X' and (resid 104 through 112 )
19X-RAY DIFFRACTION19chain 'X' and (resid 113 through 118 )
20X-RAY DIFFRACTION20chain 'Y' and (resid 19 through 29 )
21X-RAY DIFFRACTION21chain 'Y' and (resid 30 through 57 )
22X-RAY DIFFRACTION22chain 'Y' and (resid 58 through 84 )
23X-RAY DIFFRACTION23chain 'Y' and (resid 85 through 98 )
24X-RAY DIFFRACTION24chain 'Y' and (resid 99 through 118 )
25X-RAY DIFFRACTION25chain 'B' and (resid 313 through 322 )
26X-RAY DIFFRACTION26chain 'B' and (resid 323 through 355 )
27X-RAY DIFFRACTION27chain 'B' and (resid 356 through 383 )
28X-RAY DIFFRACTION28chain 'B' and (resid 384 through 388 )
29X-RAY DIFFRACTION29chain 'C' and (resid 99 through 134 )
30X-RAY DIFFRACTION30chain 'C' and (resid 135 through 165 )
31X-RAY DIFFRACTION31chain 'D' and (resid 205 through 215 )
32X-RAY DIFFRACTION32chain 'D' and (resid 216 through 223 )
33X-RAY DIFFRACTION33chain 'E' and (resid 16 through 29 )
34X-RAY DIFFRACTION34chain 'E' and (resid 30 through 62 )
35X-RAY DIFFRACTION35chain 'E' and (resid 63 through 91 )
36X-RAY DIFFRACTION36chain 'E' and (resid 92 through 117 )
37X-RAY DIFFRACTION37chain 'F' and (resid 312 through 355 )
38X-RAY DIFFRACTION38chain 'F' and (resid 356 through 388 )
39X-RAY DIFFRACTION39chain 'G' and (resid 314 through 350 )
40X-RAY DIFFRACTION40chain 'G' and (resid 351 through 388 )
41X-RAY DIFFRACTION41chain 'H' and (resid 312 through 317 )
42X-RAY DIFFRACTION42chain 'H' and (resid 318 through 350 )
43X-RAY DIFFRACTION43chain 'H' and (resid 351 through 355 )
44X-RAY DIFFRACTION44chain 'H' and (resid 356 through 387 )
45X-RAY DIFFRACTION45chain 'I' and (resid 313 through 355 )
46X-RAY DIFFRACTION46chain 'I' and (resid 356 through 387 )
47X-RAY DIFFRACTION47chain 'J' and (resid 312 through 355 )
48X-RAY DIFFRACTION48chain 'J' and (resid 356 through 387 )
49X-RAY DIFFRACTION49chain 'K' and (resid 102 through 129 )
50X-RAY DIFFRACTION50chain 'K' and (resid 130 through 166 )
51X-RAY DIFFRACTION51chain 'L' and (resid 102 through 129 )
52X-RAY DIFFRACTION52chain 'L' and (resid 130 through 166 )
53X-RAY DIFFRACTION53chain 'M' and (resid 101 through 129 )
54X-RAY DIFFRACTION54chain 'M' and (resid 130 through 165 )
55X-RAY DIFFRACTION55chain 'N' and (resid 99 through 129 )
56X-RAY DIFFRACTION56chain 'N' and (resid 130 through 165 )
57X-RAY DIFFRACTION57chain 'O' and (resid 103 through 129 )
58X-RAY DIFFRACTION58chain 'O' and (resid 130 through 164 )
59X-RAY DIFFRACTION59chain 'P' and (resid 206 through 215 )
60X-RAY DIFFRACTION60chain 'P' and (resid 216 through 225 )
61X-RAY DIFFRACTION61chain 'Q' and (resid 206 through 215 )
62X-RAY DIFFRACTION62chain 'Q' and (resid 216 through 223 )
63X-RAY DIFFRACTION63chain 'R' and (resid 204 through 215 )
64X-RAY DIFFRACTION64chain 'R' and (resid 216 through 224 )
65X-RAY DIFFRACTION65chain 'A' and (resid 204 through 211 )
66X-RAY DIFFRACTION66chain 'A' and (resid 212 through 223 )
67X-RAY DIFFRACTION67chain 'T' and (resid 205 through 211 )
68X-RAY DIFFRACTION68chain 'T' and (resid 212 through 222 )
69X-RAY DIFFRACTION69chain 'U' and (resid 17 through 29 )
70X-RAY DIFFRACTION70chain 'U' and (resid 30 through 62 )
71X-RAY DIFFRACTION71chain 'U' and (resid 63 through 91 )
72X-RAY DIFFRACTION72chain 'U' and (resid 92 through 118 )
73X-RAY DIFFRACTION73chain 'V' and (resid 15 through 21 )
74X-RAY DIFFRACTION74chain 'V' and (resid 22 through 29 )

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