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- PDB-7sol: Crystal Structures of the bispecific ubiquitin/FAT10 activating e... -

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Basic information

Entry
Database: PDB / ID: 7sol
TitleCrystal Structures of the bispecific ubiquitin/FAT10 activating enzyme, Uba6
Components
  • Ubiquitin
  • Ubiquitin-like modifier-activating enzyme 6
KeywordsSIGNALING PROTEIN/Ligase / UBIQUITIN / E1 / ADENYLATION / THIOESTER BOND / E2 / FAT10 / IP6 / LIGASE / ATP-binding / nucleotide binding / conformational change / SIGNALING PROTEIN / SIGNALING PROTEIN-Ligase complex
Function / homology
Function and homology information


FAT10 activating enzyme activity / amygdala development / E1 ubiquitin-activating enzyme / ubiquitin activating enzyme activity / dendritic spine development / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / hippocampus development / learning / locomotory behavior / Antigen processing: Ubiquitination & Proteasome degradation ...FAT10 activating enzyme activity / amygdala development / E1 ubiquitin-activating enzyme / ubiquitin activating enzyme activity / dendritic spine development / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / hippocampus development / learning / locomotory behavior / Antigen processing: Ubiquitination & Proteasome degradation / ubiquitin-dependent protein catabolic process / protein ubiquitination / mRNA binding / DNA damage response / ATP binding / nucleus / cytosol / cytoplasm
Similarity search - Function
Ubiquitin-activating enzyme E1, UFD domain / Ubiquitin-activating enzyme E1, FCCH domain / Ubiquitin-activating enzyme E1 / Ubiquitin-activating enzyme E1, C-terminal / Ubiquitin-activating enzyme E1, FCCH domain / Ubiquitin-activating enzyme E1, four-helix bundle / Ubiquitin-activating enzyme E1, C-terminal domain superfamily / Ubiquitin-activating enzyme E1, SCCH domain / Ubiquitin-activating enzyme E1, FCCH domain superfamily / Ubiquitin fold domain ...Ubiquitin-activating enzyme E1, UFD domain / Ubiquitin-activating enzyme E1, FCCH domain / Ubiquitin-activating enzyme E1 / Ubiquitin-activating enzyme E1, C-terminal / Ubiquitin-activating enzyme E1, FCCH domain / Ubiquitin-activating enzyme E1, four-helix bundle / Ubiquitin-activating enzyme E1, C-terminal domain superfamily / Ubiquitin-activating enzyme E1, SCCH domain / Ubiquitin-activating enzyme E1, FCCH domain superfamily / Ubiquitin fold domain / Ubiquitin-activating enzyme E1 FCCH domain / Ubiquitin-activating enzyme E1 four-helix bundle / Ubiquitin-activating enzyme e1 C-terminal domain / Ubiquitin-activating enzyme, SCCH domain / Ubiquitin-activating enzyme, SCCH domain / Ubiquitin/SUMO-activating enzyme E1-like / Ubiquitin-activating enzyme E1, inactive adenylation domain, subdomain 1 / ThiF/MoeB/HesA family / THIF-type NAD/FAD binding fold / ThiF family / Ubiquitin-activating enzyme / Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A / Elongation Factor Tu (Ef-tu); domain 3 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / : / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin-like (UB roll) / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily / Roll / Beta Barrel / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
ADENOSINE MONOPHOSPHATE / INOSITOL HEXAKISPHOSPHATE / Ubiquitin-like modifier-activating enzyme 6 / Ubiquitin
Similarity search - Component
Biological speciesHomo sapiens (human)
Triticum aestivum (bread wheat)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.25000635563 Å
AuthorsOlsen, S.K. / Gao, F. / Lv, Z.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM115568 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM128731 United States
Cancer Prevention and Research Institute of Texas (CPRIT)RR200030 United States
CitationJournal: Nat Commun / Year: 2022
Title: Crystal structures reveal catalytic and regulatory mechanisms of the dual-specificity ubiquitin/FAT10 E1 enzyme Uba6.
Authors: Yuan, L. / Gao, F. / Lv, Z. / Nayak, D. / Nayak, A. / Santos Bury, P.D. / Cano, K.E. / Jia, L. / Oleinik, N. / Atilgan, F.C. / Ogretmen, B. / Williams, K.M. / Davies, C. / El Oualid, F. / ...Authors: Yuan, L. / Gao, F. / Lv, Z. / Nayak, D. / Nayak, A. / Santos Bury, P.D. / Cano, K.E. / Jia, L. / Oleinik, N. / Atilgan, F.C. / Ogretmen, B. / Williams, K.M. / Davies, C. / El Oualid, F. / Wasmuth, E.V. / Olsen, S.K.
History
DepositionOct 31, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 2, 2022Provider: repository / Type: Initial release
Revision 1.1May 3, 2023Group: Database references / Refinement description / Category: citation / citation_author / struct_ncs_dom_lim
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _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 / _citation.year / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.2Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 2.0Apr 17, 2024Group: Atomic model / Derived calculations / Category: atom_site / struct_conn
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _struct_conn.ptnr2_label_atom_id
Revision 2.1Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Ubiquitin-like modifier-activating enzyme 6
B: Ubiquitin
C: Ubiquitin-like modifier-activating enzyme 6
D: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)250,2617
Polymers248,9064
Non-polymers1,3543
Water15,259847
1
A: Ubiquitin-like modifier-activating enzyme 6
B: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)125,4604
Polymers124,4532
Non-polymers1,0072
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4770 Å2
ΔGint-19 kcal/mol
Surface area48890 Å2
MethodPISA
2
C: Ubiquitin-like modifier-activating enzyme 6
D: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)124,8003
Polymers124,4532
Non-polymers3471
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4140 Å2
ΔGint-15 kcal/mol
Surface area45270 Å2
MethodPISA
Unit cell
Length a, b, c (Å)248.572, 101.317, 122.921
Angle α, β, γ (deg.)90.000, 117.996, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23
14
24
15
25

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111METMETGLUGLU(chain A and (resseq 59:204 or resseq 890:954))AA59 - 20427 - 172
121ILEILEILEILE(chain A and (resseq 59:204 or resseq 890:954))AA890 - 954858 - 922
211METMETGLUGLU(chain C and (resseq 59:204 or resseq 890:954))CC59 - 20427 - 172
221ILEILEILEILE(chain C and (resseq 59:204 or resseq 890:954))CC890 - 954858 - 922
132HISHISGLYGLY(chain B and resseq -3:76)BB-3 - 754 - 82
232HISHISGLYGLYchain DDD-3 - 754 - 82
143TRPTRPARGARG(chain A and resseq 955:1044)AA955 - 1044923 - 1012
243TRPTRPARGARG(chain C and resseq 955:1044)CC955 - 1044923 - 1012
154LYSLYSSERSER(chain A and (resseq 628:798 or resseq 819:889))AA628 - 798596 - 766
164GLUGLULYSLYS(chain A and (resseq 628:798 or resseq 819:889))AA819 - 889787 - 857
254LYSLYSSERSER(chain C and (resseq 628:798 or resseq 819:889))CC628 - 798596 - 766
264GLUGLULYSLYS(chain C and (resseq 628:798 or resseq 819:889))CC819 - 889787 - 857
175GLUGLUGLNGLN(chain A and resseq 212:290)AA212 - 290180 - 258
275GLUGLUGLNGLN(chain C and resseq 212:290)CC212 - 290180 - 258

NCS ensembles :
ID
1
2
3
4
5

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Components

#1: Protein Ubiquitin-like modifier-activating enzyme 6 / Ubiquitin-activating enzyme 6 / Monocyte protein 4 / MOP-4 / Ubiquitin-activating enzyme E1-like ...Ubiquitin-activating enzyme 6 / Monocyte protein 4 / MOP-4 / Ubiquitin-activating enzyme E1-like protein 2 / E1-L2


Mass: 114760.164 Da / Num. of mol.: 2 / Mutation: C625A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBA6, MOP4, UBE1L2 / Plasmid: pFASTbac HTB / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: A0AVT1, E1 ubiquitin-activating enzyme
#2: Protein Ubiquitin


Mass: 9692.942 Da / Num. of mol.: 2 / Mutation: K6R, K11R, K27R, K29R, K33R, K48R, K63R
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Triticum aestivum (bread wheat) / Plasmid: pET28 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): codon plus / References: UniProt: P69326
#3: Chemical ChemComp-IHP / INOSITOL HEXAKISPHOSPHATE / MYO-INOSITOL HEXAKISPHOSPHATE / INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE


Mass: 660.035 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C6H18O24P6 / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical ChemComp-AMP / ADENOSINE MONOPHOSPHATE


Mass: 347.221 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H14N5O7P / Feature type: SUBJECT OF INVESTIGATION / Comment: AMP*YM
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 847 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
Has protein modificationY

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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: 2.75 Å3/Da / Density % sol: 55.23 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / Details: 20 % PEG 3350, 0.2 M NaF

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Data collection

DiffractionMean temperature: 108 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.979 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 30, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.25→50 Å / Num. obs: 125930 / % possible obs: 98 % / Redundancy: 4.75 % / Biso Wilson estimate: 39.0284861538 Å2 / CC1/2: 0.996 / Net I/σ(I): 12.1
Reflection shellResolution: 2.25→2.29 Å / Num. unique obs: 5797 / CC1/2: 0.777

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Processing

Software
NameVersionClassification
PHENIX1.10.1_2155refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6DC6

6dc6


Resolution: 2.25000635563→45.9045852259 Å / SU ML: 0.250889902033 / Cross valid method: FREE R-VALUE / σ(F): 1.37070617071 / Phase error: 21.3182018971
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.205701836009 2000 1.59799292089 %
Rwork0.165797872043 123157 -
obs0.166435680207 125157 97.9955683268 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 54.0402852294 Å2
Refinement stepCycle: LAST / Resolution: 2.25000635563→45.9045852259 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17106 0 0 847 17953
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0040787528903717506
X-RAY DIFFRACTIONf_angle_d0.71761954282423751
X-RAY DIFFRACTIONf_chiral_restr0.04654745694712684
X-RAY DIFFRACTIONf_plane_restr0.005102268589033048
X-RAY DIFFRACTIONf_dihedral_angle_d10.400065055210685
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.251-2.30630.274893211131340.2150101333288192X-RAY DIFFRACTION91.5649400638
2.3063-2.36860.2598406366321470.2128635099178494X-RAY DIFFRACTION95.3752759382
2.3686-2.43830.278878594581290.2068306789318686X-RAY DIFFRACTION97.3817940787
2.4383-2.5170.2395300534761480.2007272341358783X-RAY DIFFRACTION98.4349167861
2.517-2.6070.2473038744261460.1923630164918829X-RAY DIFFRACTION98.5289274344
2.607-2.71130.2460917355061330.1990932668628777X-RAY DIFFRACTION98.1169474727
2.7113-2.83470.2687773634861530.2011888200748755X-RAY DIFFRACTION97.9116289294
2.8347-2.98410.2506599697241400.2009112067138989X-RAY DIFFRACTION99.8577991687
2.9841-3.17110.2384227978471440.2000975204838908X-RAY DIFFRACTION99.7465564738
3.1711-3.41580.2697957897251450.190516868688932X-RAY DIFFRACTION99.5285087719
3.4158-3.75940.2095553488581450.1640552270838878X-RAY DIFFRACTION98.7955764809
3.7594-4.30310.1685681165191410.1351845402648834X-RAY DIFFRACTION97.9696539679
4.3031-5.42010.1504718513021450.125764761929007X-RAY DIFFRACTION99.7384481255
5.4201-45.90.149367934941500.1372479057419093X-RAY DIFFRACTION98.9190924658
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)
12.1182452692-0.041324453566-0.400181191081.50325333735-0.006597356671081.637706019790.0942689138035-0.6661791565360.1286090074150.254374447304-0.0684929364304-0.223767079493-0.0148096673840.4799455701890.004584372544520.298783171323-0.0996232372843-0.05945745634340.55539217144-0.04939113206850.32145562518153.563504012967.0266677254132.834177479
20.532184093163-0.158454523476-0.3527353345192.057832897351.23418203251.288974995-0.05237148487620.0936142073744-0.0363700648997-0.02945479333190.0111383559048-0.1168930932960.2835663795270.1935971297340.01928561499970.4504251390720.0881084620680.04503219977670.4980931189850.02735239332420.46707131435559.954949956641.0960646093103.187398803
31.36632089395-0.005119788478430.02821855557741.04764559881-0.01305450176230.9073823966070.0800922772655-0.004730888663730.4063845264540.0235313416687-0.067645474254-0.0426201093394-0.2310132946570.122785452426-0.03392410894030.316621347723-0.05732194835850.02053913934540.274312283605-0.03947295485940.35431335084440.685409029176.331528112118.325219142
41.248440864860.8780018066310.3848474169172.00682215115-0.9942809580892.675533322360.0805856102346-0.185910832711-0.07999841391640.142680147752-0.122336438848-0.2380717671550.06146008880570.3644951846140.03564056012570.303447311057-0.04537332444070.004060557055230.436347439150.01249914240990.22633682795732.556096088255.8354696346136.606750848
50.767582361834-0.1653767056130.008827152682870.718571454471-0.5353498132530.6699375453410.0724884799153-0.181099976065-0.1149084428570.0162494038949-0.0277145671530.07746481512670.125634896126-0.0590953628391-0.04887804276310.269801443166-0.0542434099218-0.01205291803190.2586016521620.02193091016250.25637421578726.480484711848.9793288794123.770860952
63.120132129910.0877279993138-0.8584056269742.2799279548-0.3653368710863.13426020115-0.0447430195557-0.242586862886-0.522815703203-0.0616823602427-0.12043018485-0.04847981236610.33946135292-0.07649964887290.1469514939820.4413043084650.007117281941840.01919503336840.3138304849030.07784285022950.53077302429643.125390832912.2776211079129.209702513
72.378493694870.71312044055-0.3466835063360.986928981665-0.4502033018880.982190726390.0397583091069-0.224532850906-0.296799307995-0.0479009380339-0.1036035766170.2188675611520.424076810867-0.1005874018470.06004356448060.5718386284910.0116433478470.01534612537860.338659940584-0.002803440282230.59219707510233.670936455610.764823167129.103834446
80.462262633217-0.477364633327-0.1454057615071.14029057169-0.2074939618230.0820299799121-0.105918683536-0.108819060418-0.174424261683-0.02694303589690.0339157283832-0.1026064941090.1425369419760.05934728289450.05909378296260.40120285666-0.01625867548270.01390001261950.3170487849450.04060246773290.37965649582344.755907764839.8418595077124.659275031
94.663204899292.088628665551.27785279421.043165535770.01292283649840.4293258904660.1022311972270.009964348529440.03400239107220.05264067451110.07919191461670.2359689866640.165056268813-0.0961809036282-0.1333894874730.32624498708-0.0847648084362-0.01455774414060.3119195690460.008723778239940.3466236579685.6873359469650.2316383817108.61470276
103.08652551223-0.09150193521650.1927805994992.697369879970.7948923743742.73480014511-0.2028610085330.154678946311-0.3121287838810.0979817645649-0.52420678272-0.8793644503180.4934799356980.4789593570920.4770127056920.8276624010730.1489709367790.09313436673240.970860383942-0.02900271015880.91239845781434.485276009657.346137503176.6328358199
115.086943431240.0279442239066-0.2954415097735.13067419175-1.351356297619.00370974643-0.2234591927891.4940577111-0.37882973327-0.69272285908-0.250352675746-0.3372733820410.05235936106670.4543876562290.3965049709280.4957641676310.1039866522530.07899619086840.716690286876-0.0310226296550.41712524954644.548037373353.037659268793.0503088805
122.160768160520.2488874822380.2733124017751.330132465920.5300849748340.2268818808590.1754400571581.29367039143-0.666061406981-0.3140530617330.009998726871730.07684953724160.189216258450.765283175489-0.05714705609040.3490288604430.108253120672-0.03433842448970.555568312526-0.1311360213660.33720894544942.398719454749.709882730895.8775694523
134.60212524713-1.7472514650.002331055987155.80872505502-0.6416395687473.98093214740.1155208667390.556046679501-0.85566248266-0.921796615587-0.360580608395-0.1466505760791.163121071660.2407294624050.2090621684430.5965134064250.0926075790922-0.008354284940540.456464342003-0.07970612080870.47410369726836.77419592544.060590503996.2271817493
141.87025017056-0.257597587812-0.3074638398242.455696634140.2006313111832.09863515771-0.0196954888921-0.0907050867717-0.434131191534-0.06386423369750.0582751749642-0.1540287440950.5348759244850.07776602567020.03873498900430.393995718954-0.0198178858293-0.03130724896060.3506315018520.004768564567270.3822048333834.285593147945.8469700002104.266514234
151.519102653171.002891856050.4245163388172.87759662290.7294211106224.440448103140.1095820977750.0352826989543-0.2042055168550.0580033133324-0.1296700443190.49358159166-0.129451593811-0.7446688415440.05320490142180.4025736115090.0434764912771-0.0732455134750.4002020035860.008451614513390.39547730632531.364227513756.471470139998.1907829043
162.138510147760.1424117657080.6244355057562.76205221015-0.8154090382962.946983163620.1428339938890.7249706019650.0468716836876-0.697639602301-0.23064187159-0.2261100577910.1931216129060.4955337591150.02824280036310.3309628917850.07763037487090.03351599108650.4009140233940.01533702666480.27916737784339.037679484657.315213944895.4824136838
173.20930696865-0.4982088189661.517366936571.27128989518-0.8697876054274.747364413290.20367672177-0.241295618649-0.9935501707480.285001668208-0.124520673604-0.139572488988-0.1794248084160.245575756849-0.2267679657730.2766203194760.013381362692-0.02806583296610.2809598740990.07004400493640.28859846059835.96011880947.4330365828117.703996614
181.814120251460.28481594721-0.3567208398311.87849385550.04110700217211.72414947038-0.05031401235640.3774344499020.0508125126413-0.4259194514870.02661822875770.0351107759306-0.134815112536-0.1754328502630.02324914046750.4487231288190.0324672915328-0.03050740625660.342369842899-0.01375080531950.24821839504721.144199287774.758269311446.7396567919
190.5017346943220.182454929667-0.05202367569660.962539696063-0.9983982988370.9703683636330.0545424623508-0.05635464435760.09049055840640.496838348897-0.114963943192-0.293368097928-0.5395250289760.267998680384-0.1054019740390.624596316553-0.101262515151-0.05985134648880.366239443537-0.01160198194480.39156931682138.251517926484.810407506369.3356348374
201.57917209617-0.163501353197-0.3288304666610.5476248586850.1352586780371.122790749440.05241630811380.0501889930192-0.0385617638516-0.0294187056025-0.05684913717830.181525838948-0.00663033586137-0.2556820606460.01030888062680.287853730147-0.00848025741404-0.02403507037230.279303565768-0.005891041175720.2638064385810.344995279469.807223182667.2944970517
211.913780755310.144219518175-0.5025573812980.887460040490.0004512238973310.07574945400460.07802781430850.5665558716050.423287321461-0.105216294095-0.05729533934010.161578650954-0.0642009488062-0.240501654861-0.01818411046980.3844055660910.0460198188119-0.01530651417880.4800508015750.0453031446050.3529774176835.0955648382694.521753465762.037748535
221.42147459446-0.0327579644924-0.2981512323310.388039479337-0.2005969318130.6389151157050.1197248455860.2445127905620.436937315036-0.035461602242-0.05019829896320.123485581017-0.155377201633-0.116781344207-0.05891662590230.335204715280.00321517276694-0.006998877548170.2957973690010.005448955939190.4062659112236.8496430440795.097913162969.9234564084
232.288846615290.53478126396-0.06455962444382.230514258590.01975312006442.413726751020.02189388946-0.1818923276760.5470311784280.202706482199-0.006418200898190.521002738359-0.171917879825-0.6958460422070.05211362779030.2966113859440.08061845265330.05175786616850.3715678753280.02796674810030.472562627291.4654213313875.2392364403108.68441445
246.62859404515-2.507307411740.6017212396265.99796248321-0.1701871962861.49540853116-0.432737636295-0.03915028605310.6152536052570.652030964163-0.0105818914374-0.947368692545-0.06533595416541.105197515730.4017239905110.624768754195-0.0486505666957-0.116395931150.6606210313890.1174635434910.59903649739744.804924990477.915140880688.6543937188
252.4240499379-0.4487120013440.8141800705072.15087553012-0.5982085306053.43250224631-0.126742397642-0.2114757143670.2719023997660.500158908088-0.173380321812-0.36902542817-0.3982523411330.3583999308670.2396119939890.445865709128-0.0663011066152-0.05795680234080.374098663520.01883918719650.32739383787434.450161967678.478918980787.9866194279
268.36211504635-3.25101369734.142875566896.4367673293-3.744380445899.10813589050.671778294129-0.0727104669713-0.0504271322927-0.1814853491430.1172839894370.456035654747-0.511265866745-0.214144394502-0.7198402441920.3695273992640.05047729510180.09474883755290.304289895767-0.01885883870560.2922406936116.887607198283.501922931477.8018811294
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 40 through 198 )
2X-RAY DIFFRACTION2chain 'A' and (resid 199 through 307 )
3X-RAY DIFFRACTION3chain 'A' and (resid 308 through 469 )
4X-RAY DIFFRACTION4chain 'A' and (resid 470 through 520 )
5X-RAY DIFFRACTION5chain 'A' and (resid 521 through 633 )
6X-RAY DIFFRACTION6chain 'A' and (resid 634 through 797 )
7X-RAY DIFFRACTION7chain 'A' and (resid 798 through 857 )
8X-RAY DIFFRACTION8chain 'A' and (resid 858 through 913 )
9X-RAY DIFFRACTION9chain 'A' and (resid 914 through 1050 )
10X-RAY DIFFRACTION10chain 'B' and (resid -6 through -1 )
11X-RAY DIFFRACTION11chain 'B' and (resid 0 through 6 )
12X-RAY DIFFRACTION12chain 'B' and (resid 7 through 22 )
13X-RAY DIFFRACTION13chain 'B' and (resid 23 through 34 )
14X-RAY DIFFRACTION14chain 'B' and (resid 35 through 44 )
15X-RAY DIFFRACTION15chain 'B' and (resid 45 through 56 )
16X-RAY DIFFRACTION16chain 'B' and (resid 57 through 70 )
17X-RAY DIFFRACTION17chain 'B' and (resid 71 through 76 )
18X-RAY DIFFRACTION18chain 'C' and (resid 59 through 198 )
19X-RAY DIFFRACTION19chain 'C' and (resid 199 through 364 )
20X-RAY DIFFRACTION20chain 'C' and (resid 365 through 584 )
21X-RAY DIFFRACTION21chain 'C' and (resid 585 through 731 )
22X-RAY DIFFRACTION22chain 'C' and (resid 732 through 967 )
23X-RAY DIFFRACTION23chain 'C' and (resid 968 through 1048 )
24X-RAY DIFFRACTION24chain 'D' and (resid -3 through 6 )
25X-RAY DIFFRACTION25chain 'D' and (resid 7 through 70 )
26X-RAY DIFFRACTION26chain 'D' and (resid 71 through 76 )

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