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- PDB-6p59: Crystal structure of SIVrcm Vif-CBFbeta-ELOB-ELOC complex -

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Basic information

Entry
Database: PDB / ID: 6p59
TitleCrystal structure of SIVrcm Vif-CBFbeta-ELOB-ELOC complex
Components
  • Core-binding factor subunit beta
  • Elongin-B
  • Elongin-C
  • Virion infectivity factor
Keywordsviral protein/immune system / Complex / Vif / A3G / VIRAL PROTEIN / viral protein-immune system complex
Function / homology
Function and homology information


RUNX3 regulates RUNX1-mediated transcription / RUNX1 regulates transcription of genes involved in BCR signaling / RUNX1 regulates transcription of genes involved in interleukin signaling / RUNX2 regulates bone development / core-binding factor complex / RUNX1 regulates expression of components of tight junctions / positive regulation of CD8-positive, alpha-beta T cell differentiation / RUNX2 regulates chondrocyte maturation / negative regulation of CD4-positive, alpha-beta T cell differentiation / lymphocyte differentiation ...RUNX3 regulates RUNX1-mediated transcription / RUNX1 regulates transcription of genes involved in BCR signaling / RUNX1 regulates transcription of genes involved in interleukin signaling / RUNX2 regulates bone development / core-binding factor complex / RUNX1 regulates expression of components of tight junctions / positive regulation of CD8-positive, alpha-beta T cell differentiation / RUNX2 regulates chondrocyte maturation / negative regulation of CD4-positive, alpha-beta T cell differentiation / lymphocyte differentiation / RUNX1 and FOXP3 control the development of regulatory T lymphocytes (Tregs) / RUNX2 regulates genes involved in cell migration / RUNX2 regulates genes involved in differentiation of myeloid cells / Transcriptional regulation by RUNX2 / RUNX1 regulates transcription of genes involved in differentiation of keratinocytes / myeloid cell differentiation / target-directed miRNA degradation / RUNX3 Regulates Immune Response and Cell Migration / elongin complex / VCB complex / definitive hemopoiesis / RUNX1 regulates transcription of genes involved in differentiation of myeloid cells / Regulation of RUNX1 Expression and Activity / Cul5-RING ubiquitin ligase complex / Cul2-RING ubiquitin ligase complex / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known / RUNX2 regulates osteoblast differentiation / Pausing and recovery of Tat-mediated HIV elongation / Tat-mediated HIV elongation arrest and recovery / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / RUNX3 regulates p14-ARF / Tat-mediated elongation of the HIV-1 transcript / Formation of HIV-1 elongation complex containing HIV-1 Tat / Formation of HIV elongation complex in the absence of HIV Tat / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / cell maturation / RNA Polymerase II Pre-transcription Events / viral life cycle / transcription corepressor binding / TP53 Regulates Transcription of DNA Repair Genes / transcription initiation at RNA polymerase II promoter / transcription elongation by RNA polymerase II / Vif-mediated degradation of APOBEC3G / Regulation of RUNX3 expression and activity / RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function / Inactivation of CSF3 (G-CSF) signaling / Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha / Evasion by RSV of host interferon responses / Regulation of expression of SLITs and ROBOs / Transcriptional regulation of granulopoiesis / protein polyubiquitination / osteoblast differentiation / Regulation of RUNX2 expression and activity / Antigen processing: Ubiquitination & Proteasome degradation / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / RUNX1 regulates transcription of genes involved in differentiation of HSCs / Neddylation / protein-macromolecule adaptor activity / ubiquitin-dependent protein catabolic process / protein-containing complex assembly / Estrogen-dependent gene expression / sequence-specific DNA binding / host cell cytoplasm / transcription by RNA polymerase II / transcription coactivator activity / protein ubiquitination / ubiquitin protein ligase binding / regulation of transcription by RNA polymerase II / host cell plasma membrane / negative regulation of transcription by RNA polymerase II / positive regulation of transcription by RNA polymerase II / nucleoplasm / membrane / metal ion binding / plasma membrane / cytosol / cytoplasm
Similarity search - Function
Polyomavirus Enhancer Binding Protein 2; Chain: A; / Core binding factor, beta subunit / Retroviral Vif (Viral infectivity) protein / Retroviral Vif (Viral infectivity) protein / Core-binding factor, beta subunit / Core-binding factor, beta subunit superfamily / Core binding factor beta subunit / Elongin B / Elongin-C / Potassium Channel Kv1.1; Chain A ...Polyomavirus Enhancer Binding Protein 2; Chain: A; / Core binding factor, beta subunit / Retroviral Vif (Viral infectivity) protein / Retroviral Vif (Viral infectivity) protein / Core-binding factor, beta subunit / Core-binding factor, beta subunit superfamily / Core binding factor beta subunit / Elongin B / Elongin-C / Potassium Channel Kv1.1; Chain A / Potassium Channel Kv1.1; Chain A / S-phase kinase-associated protein 1-like / SKP1 component, POZ domain / Skp1 family, tetramerisation domain / Found in Skp1 protein family / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / SKP1/BTB/POZ domain superfamily / Ubiquitin-like (UB roll) / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily / Roll / Beta Barrel / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Virion infectivity factor / Core-binding factor subunit beta / Elongin-C / Elongin-B
Similarity search - Component
Biological speciesHomo sapiens (human)
Simian immunodeficiency virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.94221405643 Å
AuthorsBinning, J.M. / Chesarino, N.M. / Emerman, M. / Gross, J.D.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM082250 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)AI120867 United States
CitationJournal: Cell Host Microbe / Year: 2019
Title: Structural Basis for a Species-Specific Determinant of an SIV Vif Protein toward Hominid APOBEC3G Antagonism.
Authors: Binning, J.M. / Chesarino, N.M. / Emerman, M. / Gross, J.D.
History
DepositionMay 29, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 25, 2019Provider: repository / Type: Initial release
Revision 1.1Oct 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 / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
C: Core-binding factor subunit beta
W: Elongin-B
Z: Elongin-C
F: Virion infectivity factor
A: Core-binding factor subunit beta
D: Elongin-B
E: Elongin-C
B: Virion infectivity factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)142,42913
Polymers141,9198
Non-polymers5105
Water1267
1
C: Core-binding factor subunit beta
W: Elongin-B
Z: Elongin-C
F: Virion infectivity factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)71,1176
Polymers70,9604
Non-polymers1582
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10740 Å2
ΔGint-60 kcal/mol
Surface area27010 Å2
MethodPISA
2
A: Core-binding factor subunit beta
D: Elongin-B
E: Elongin-C
B: Virion infectivity factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)71,3127
Polymers70,9604
Non-polymers3533
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10830 Å2
ΔGint-61 kcal/mol
Surface area27540 Å2
MethodPISA
Unit cell
Length a, b, c (Å)110.220, 112.489, 125.697
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23
14
24

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
111GLUGLUMETMET(chain F and (resseq 3:5 or (resid 7 and (name...FD3 - 53 - 5
121ILEILEPROPRO(chain F and (resseq 3:5 or (resid 7 and (name...FD7 - 497 - 49
131GLYGLYGLUGLU(chain F and (resseq 3:5 or (resid 7 and (name...FD51 - 7951 - 79
141GLYGLYCYSCYS(chain F and (resseq 3:5 or (resid 7 and (name...FD81 - 9781 - 97
151PROPROGLUGLU(chain F and (resseq 3:5 or (resid 7 and (name...FD99 - 13499 - 134
161VALVALLYSLYS(chain F and (resseq 3:5 or (resid 7 and (name...FD136 - 166136 - 166
171GLNGLNSERSER(chain F and (resseq 3:5 or (resid 7 and (name...FD200 - 205200 - 205
181VALVALTHRTHR(chain F and (resseq 3:5 or (resid 7 and (name...FD207 - 218207 - 218
211GLUGLUMETMET(chain B and (resseq 3:5 or (resid 7 and (name...BH3 - 53 - 5
221ILEILEPROPRO(chain B and (resseq 3:5 or (resid 7 and (name...BH7 - 497 - 49
231GLYGLYGLUGLU(chain B and (resseq 3:5 or (resid 7 and (name...BH51 - 7951 - 79
241GLYGLYCYSCYS(chain B and (resseq 3:5 or (resid 7 and (name...BH81 - 9781 - 97
251PROPROGLUGLU(chain B and (resseq 3:5 or (resid 7 and (name...BH99 - 13499 - 134
261VALVALLYSLYS(chain B and (resseq 3:5 or (resid 7 and (name...BH136 - 166136 - 166
271GLNGLNSERSER(chain B and (resseq 3:5 or (resid 7 and (name...BH200 - 205200 - 205
281VALVALTHRTHR(chain B and (resseq 3:5 or (resid 7 and (name...BH207 - 218207 - 218
112TYRTYRLEULEU(chain Z and (resseq 18:51 or (resid 52 and (name...ZC18 - 11018 - 110
212TYRTYRLEULEU(chain E and (resseq 18:51 or (resid 52 and (name...EG18 - 11018 - 110
113PROPROASNASN(chain A and (resseq 6:11 or (resid 12 and (name...AE6 - 146 - 14
123GLUGLUSERSER(chain A and (resseq 6:11 or (resid 12 and (name...AE16 - 2216 - 22
133GLUGLUSERSER(chain A and (resseq 6:11 or (resid 12 and (name...AE24 - 7224 - 72
143GLNGLNLEULEU(chain A and (resseq 6:11 or (resid 12 and (name...AE74 - 8874 - 88
153ARGARGGLNGLN(chain A and (resseq 6:11 or (resid 12 and (name...AE90 - 13390 - 133
163ALAALAGLNGLN(chain A and (resseq 6:11 or (resid 12 and (name...AE137 - 140137 - 140
173ALAALAARGARG(chain A and (resseq 6:11 or (resid 12 and (name...AE142 - 148142 - 148
183THRTHRASPASP(chain A and (resseq 6:11 or (resid 12 and (name...AE150 - 157150 - 157
193SERSERSERSER(chain A and (resseq 6:11 or (resid 12 and (name...AE159159
213PROPROASNASN(chain C and (resseq 6:11 or (resid 12 and (name...CA6 - 146 - 14
223GLUGLUSERSER(chain C and (resseq 6:11 or (resid 12 and (name...CA16 - 2216 - 22
233GLUGLUSERSER(chain C and (resseq 6:11 or (resid 12 and (name...CA24 - 7224 - 72
243GLNGLNLEULEU(chain C and (resseq 6:11 or (resid 12 and (name...CA74 - 8874 - 88
253ARGARGGLNGLN(chain C and (resseq 6:11 or (resid 12 and (name...CA90 - 13390 - 133
263ALAALAGLNGLN(chain C and (resseq 6:11 or (resid 12 and (name...CA137 - 140137 - 140
273ALAALAARGARG(chain C and (resseq 6:11 or (resid 12 and (name...CA142 - 148142 - 148
283THRTHRASPASP(chain C and (resseq 6:11 or (resid 12 and (name...CA150 - 157150 - 157
293SERSERSERSER(chain C and (resseq 6:11 or (resid 12 and (name...CA159159
114METMETPHEPHE(chain W and (resseq 1 or (resid 2 and (name...WB1 - 251 - 25
124LEULEUPHEPHE(chain W and (resseq 1 or (resid 2 and (name...WB27 - 7927 - 79
134THRTHRTHRTHR(chain W and (resseq 1 or (resid 2 and (name...WB8484
144GLUGLUPROPRO(chain W and (resseq 1 or (resid 2 and (name...WB86 - 9786 - 97
254METMETPHEPHE(chain D and (resseq 1 or (resid 2 and (name...DF1 - 251 - 25
264LEULEUPHEPHE(chain D and (resseq 1 or (resid 2 and (name...DF27 - 7927 - 79
274THRTHRTHRTHR(chain D and (resseq 1 or (resid 2 and (name...DF8484
284GLUGLUPROPRO(chain D and (resseq 1 or (resid 2 and (name...DF86 - 9786 - 97

NCS ensembles :
ID
1
2
3
4

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Components

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Protein , 4 types, 8 molecules CAWDZEFB

#1: Protein Core-binding factor subunit beta / CBF-beta / Polyomavirus enhancer-binding protein 2 beta subunit / PEBP2-beta / SL3-3 enhancer ...CBF-beta / Polyomavirus enhancer-binding protein 2 beta subunit / PEBP2-beta / SL3-3 enhancer factor 1 subunit beta / SL3/AKV core-binding factor beta subunit


Mass: 19701.965 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CBFB / Production host: Escherichia coli (E. coli) / References: UniProt: Q13951
#2: Protein Elongin-B / EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / ...EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / Transcription elongation factor B polypeptide 2


Mass: 13147.781 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ELOB, TCEB2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q15370
#3: Protein Elongin-C / EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / ...EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / Transcription elongation factor B polypeptide 1


Mass: 12485.135 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ELOC, TCEB1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q15369
#4: Protein Virion infectivity factor


Mass: 25624.660 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Simian immunodeficiency virus / Gene: vif / Production host: Escherichia coli (E. coli) / References: UniProt: E1ANT9

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Non-polymers , 4 types, 12 molecules

#5: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#6: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID


Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 7 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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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: 55.2 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: MES (pH 6), PEG 6000, Dichloromethane

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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: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 3, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.11583 Å / Relative weight: 1
ReflectionResolution: 2.94→49.12 Å / Num. obs: 33445 / % possible obs: 98.8 % / Redundancy: 7.2 % / Biso Wilson estimate: 85.66762804 Å2 / Net I/σ(I): 12.27
Reflection shellResolution: 2.94→3.047 Å / Num. unique obs: 3146

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Processing

Software
NameClassification
PHENIXrefinement
Cootmodel building
Blu-Icedata collection
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4N9F

4n9f


Resolution: 2.94221405643→49.116978298 Å / SU ML: 0.433819171318 / Cross valid method: FREE R-VALUE / σ(F): 1.32565720389 / Phase error: 32.7423150686
RfactorNum. reflection% reflection
Rfree0.268464117183 1679 5.02273543137 %
Rwork0.234530316465 --
obs0.236271019504 33428 98.7679125425 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 98.7828845439 Å2
Refinement stepCycle: LAST / Resolution: 2.94221405643→49.116978298 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8892 0 26 7 8925
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.005840464889869138
X-RAY DIFFRACTIONf_angle_d0.86175809537812338
X-RAY DIFFRACTIONf_chiral_restr0.04964108481981288
X-RAY DIFFRACTIONf_plane_restr0.005860797357711596
X-RAY DIFFRACTIONf_dihedral_angle_d17.96629831755480
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.9422-3.02880.4385743046911260.3747675982942460X-RAY DIFFRACTION92.7879440258
3.0288-3.12650.3631239383821480.3387874368982632X-RAY DIFFRACTION99.9640417116
3.1265-3.23820.3358978059371360.3090544365972639X-RAY DIFFRACTION99.9639769452
3.2382-3.36790.3350985912821380.3069548008422628X-RAY DIFFRACTION99.9277456647
3.3679-3.52110.3150601217811380.3061008463642664X-RAY DIFFRACTION99.9643239386
3.5211-3.70670.4357441305261370.3631452166052540X-RAY DIFFRACTION96.3642908567
3.7067-3.93880.3284588238561410.2789687304522586X-RAY DIFFRACTION96.8738898757
3.9388-4.24280.232859697351370.2192178816442665X-RAY DIFFRACTION99.9643239386
4.2428-4.66950.2007111057021460.1788776754222683X-RAY DIFFRACTION99.8940677966
4.6695-5.34440.2203508361991430.1848759614742674X-RAY DIFFRACTION99.9645138396
5.3444-6.73070.2827695723211430.2127165615162740X-RAY DIFFRACTION99.9653259362
6.7307-49.12380.2030164293751460.1861292660582838X-RAY DIFFRACTION99.4666666667
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)
1-0.2672155973560.569191207568-0.1268988883340.494955833465-0.9920517293751.55448642286-0.29029447438-0.4623670269810.286207377573-0.503978561228-0.3481064426610.5734948753830.0705569423693-0.4955386517253.3681867585E-50.6965198450750.1666188986710.08617316666530.82850004189-0.1004283216450.99321067574955.77326535555.570858868823.742973347
20.257711166076-0.0231832320760.1521109263240.422509851339-0.5172115181130.359311351903-0.126599276123-0.291714996830.168724033575-0.17496812546-0.232023071877-0.420466424510.731478000743-0.0352540281169-9.1931956663E-50.459286546970.09729846104720.02551868466790.9620800148770.05122023046630.65164222170163.4185014515-9.734555877525.444087862
3-0.05259356559150.09995108268530.004756772373941.348143492440.8115889915980.456820738256-0.132873259853-0.8022267215320.8941160732550.162262909461-0.568393334513-1.13902231338-0.011396740023-0.766648200719-0.007984752111320.7976548948590.0291035347192-0.1827967512421.3957508117-0.2635610458581.0648239011171.3129017586-0.61308473447329.3504071933
40.1705257484610.5009999024630.5122130859760.6563799645370.2916581463921.16297681045-1.23489380046-1.910057009891.181207904361.212071268681.118139089770.460447664390.302545682660.00343004508283-0.07437367386540.147971694437-0.353566991088-0.5200384924151.11166634579-0.6342149288571.052572703460.58719433383.1250070359930.2996419366
50.566516907528-0.092509071029-0.465325208897-0.06665754845530.05819908976260.2965486484351.24358255441-2.269249884490.197782314559-0.0389811493261-1.117097772380.471369384856-0.4364928371280.4728820093120.001050265649631.33749459101-0.11221143621-0.3795308689811.207490265380.05446801981.3700198290169.092818266920.121047724418.2924360259
60.2667338128040.22831482172-0.0135964346783-0.005353386562780.0545547664149-0.00852318314894-0.0998211283333-0.2186621598640.5950706833440.5315050019290.913750376491-0.22035022053-0.8466648863280.1183786342380.001540507228140.681323360364-0.1469617876020.09391687278080.562764030169-0.0547619191681.3546113077159.207077550124.0061475794-8.51570608312
70.243697530602-0.26958427265-0.2382266690940.1838173222490.1744242912620.174984256771-0.478905367522-0.306719859726-0.0246992095466-0.09829439883530.555924662872-0.4789773110730.514173486884-0.8818654425970.000303048571080.8546341276930.102104213566-0.02177580708670.8282659455050.2527555241160.81347346272830.932825069630.395897640918.0988967942
80.69036190112-0.502338320392-0.2315873892440.5736036631010.4677736055260.339470572903-0.122179909099-0.0753663088297-0.4993184137211.53467042418-0.1456091772710.0357521586967-0.421346096875-0.9322358131390.001276899005170.954061720627-0.0388029276018-0.01024738096751.143543561810.1016507934430.68407505602925.106657840437.976735858824.1890875025
90.208033612315-0.0719567918166-0.1617764172970.1015367193550.08802636272930.113282067205-0.122962876223-0.492636632401-0.501628016879-0.1235984888920.4496678394780.7746653278180.384701024868-0.353459255072-1.63572163556E-51.30384653303-0.2550350015880.1686230141361.054216384710.4164207290521.2984323257620.75233407625.66364215124.9421562952
100.2361495265860.05200780312320.08762657767110.179843691740.2402845437180.215703529788-0.3032033315320.647705566965-0.569235752515-0.355422367334-0.2348037304980.4488102769580.599041291623-0.763317326863-0.01521083962780.864759385162-0.04372361876450.06138875121690.7975388940460.3678067233861.1923557826130.59024626923.108575117416.091793676
110.1390662628190.504820726854-0.197567090441.61861138374-0.5088587036810.1823817399920.0620794597014-0.6664759695171.40721072544-0.5136952806231.282051636970.2014657701560.18013569551-0.1437803378580.4012175026810.4124886384390.05515851040360.0253589301781.61843030946-0.02144672719460.89439850181516.400097508340.381181057116.0197973102
12-0.0170676462740.0137956615763-0.0352582161731-0.0160966182646-0.003536547092390.025978582354-0.2629542209760.6754689983990.01385009185590.266665527455-0.937466750871-0.549682341967-0.408088698899-0.0825848731670.001058876003840.919440212135-0.048121811480.1948834207990.720336127466-0.1185885732280.70077539492528.525672780629.3906577792-4.66784961795
130.9271478431460.591498880032-0.9078809180260.911788547809-1.024813958890.9885186935660.363809731536-0.0290545122725-0.543875756463-0.0147389454762-0.137845295371-0.2180459303030.176932705068-0.6494265236199.16945847806E-50.5290688167160.126265631001-0.009025613895260.6104727655080.148986966450.83473364971237.98949455539.096753310510.360691195
140.119385652539-0.1685664852010.01235296444070.391488001415-0.0467685023666-0.003855474430730.02465780410710.04437448289260.08010593735181.020740442530.0794806171326-0.1969361123880.4651413592860.651574302664-0.0004423783260720.789983135040.017335341473-0.1072962382860.6087228880530.1848543865490.83945039048449.074993680946.70229642739.21964246225
151.354338946250.483374193242-0.3912745179820.1959653668660.1425127059190.731811904025-0.2680255564820.623823782069-0.1816051230930.4631521424550.155668643025-0.804535005731-0.505262391095-0.05376359259140.0001850444527520.6872727073710.136455171120.07708008610440.5854950158290.2276057877090.8421694640538.748430878933.38519760795.16300708574
16-0.122393070694-0.305999718206-0.01067510593860.112406815717-0.5379997986470.627563043769-0.3169997949390.092639412361-0.233082810911-0.152126374640.314965145293-0.388396025119-0.0726338262996-0.200024557687-6.4890901588E-50.8046628207920.06747378170790.2086247080670.543977107596-0.04900646080890.87333820491642.921703754224.78824991073.10749817548
170.7893095025090.8559916428080.538092134230.144349091741-1.749459408262.09235168738-0.1473763144440.0744807887010.21391326037-0.335070291076-0.315051357715-0.5564348954580.5220184555010.469062735064-0.00313621408780.6045348137130.1544482481170.2060572065040.680009659860.07971108082340.97263707577267.38375887990.2555474303717.28132444045
180.714561079178-1.948912425660.3332387579841.3055556576-0.174276502849-0.07206177607620.08749388379760.1349072309010.10107090556-0.335843747984-0.204854130237-0.788605758301-0.316110038441-0.01940754707193.04000877323E-50.7761315942830.1237726761910.08270151041160.621942102050.04724418113510.97295450228650.465335564415.2896843005-4.95242719906
192.11981615412-0.1918139075780.9610263708370.816919330754-1.069877934531.23328965956-0.1414477481-0.473699830606-0.1955407398720.41248368036-0.0322692455280.244045297193-0.270206293461-0.4283899688455.40932736594E-50.7682806570920.01260254716530.1582952830.6213173467920.0462697081650.57067281755559.85002166486.03572309438-40.778668701
200.5263418069730.269118730512-0.4669616882820.0942837092747-0.03891305314680.438879411891-0.177154020581-0.180299818721-0.3895875823680.564121060157-0.108983565472-0.1703851222670.284179634801-0.136394450562-0.01154224422170.543926876561-0.121909615443-0.0867208342190.6864735568780.2082384979850.61967504422167.402155912-9.5884859909-38.9478867839
21-0.0681789893440.00528058981486-0.02501906371280.5858565968690.3185870968370.4430914908490.215706393043-0.0856668516777-0.093892943021.35166857104-0.415500385847-1.04246788708-2.10580246575-0.489481919673-0.006783631621951.16775228138-0.234614392018-0.09002353738160.8906951985940.007505594555121.0160868271179.39983099152.67937264539-42.4772289761
220.359757298505-0.1287024700210.5301910120650.181414238948-0.2452968328740.643558843554-0.0366242538926-0.469363796294-0.2886769181831.375633375850.3539652994810.0411506732773-0.957102955976-0.2049313072548.39781678236E-50.949939825519-0.03097319768040.008646780123260.9121728328090.09240285904550.46574559976766.27902302831.70524119848-32.4812069236
230.23840108867-0.652332346396-0.02272791873053.02400371194-0.9299927569920.5876052379120.698570131306-1.980832967980.8508734932481.48799649134-1.43938746491-1.005561512240.0172203058787-0.119866069555-0.06844521736230.807301811847-0.282153024399-0.3287042081591.378911824190.08359628829580.94967299393377.10269940918.2782723151-39.3175327862
241.23972069093-1.291593215790.6780841836370.444938273917-0.343284974180.4090257669690.102975010907-0.157873936520.6520212197680.548070309557-0.1237098800580.153944714991-0.525044559758-0.523188038179-0.1226936451010.5060959913890.030962660422-0.03681457766890.3623729116750.08739897314960.64043205550966.426534361223.6353514781-64.959201209
250.09323872047270.1894495315170.002282700618180.7127225092050.1563446252480.15612271084-1.00871429908-0.678753740916-0.207912144335-0.271076020595-0.1176803854030.425490949240.2786324606040.0197020657612-0.1426502343060.672995318580.09476124296640.250898166890.8147384772160.1465110147820.47584102645436.274478875828.638239443-46.5912923845
260.7159951312670.2906606267590.1486082486720.1564439606770.1485712304520.464095740986-0.388961286388-0.3701037002530.5925024459120.443335035063-0.175321544987-0.1235973890170.315390180848-0.281936082502-0.1398044435070.6744509936230.05766244272540.07480346628260.7007368528910.02329318544680.50908276136436.173093216131.2091782247-45.1823981405
270.354059953750.323572333404-0.1049408210560.209777466278-0.0556260787450.1893826307530.849902775328-0.6794096299280.1966794167021.51785187509-0.5104364457170.255980831695-0.894707780850.3208479850250.004325586215790.748688572041-0.09833188612080.07279184911890.797256426415-0.07509531154250.47066615506634.144518467136.9228923693-38.358687954
281.5784026343-0.171773058793-1.222508558560.2871465300930.4120630048380.980963248805-0.353080626469-0.387560053554-0.05721468232110.4983063997250.1620151029770.589843430525-0.14414775375-0.2826792914664.9340888108E-50.9915116708350.01217254053430.1003809437120.690054955920.09365402765610.67924312306226.632721045631.110013542-39.679438015
291.423291055971.04080415518-0.07727326303770.6909501081260.07387340486611.43120445317-0.0908637424845-0.0076475086348-0.5707507529420.46716436443-0.4235750276640.6660291951680.474285216612-0.636299015283-0.01978696683640.6257042696990.006889680609470.07991286913010.617587782315-0.03708247629240.55842114411128.644451305531.0466133349-48.0954855951
300.0454129497885-0.0596210808103-0.03292450811130.08926859120080.04220891181480.09200167480830.517357626977-0.73832311302-0.73635662205-0.3676716387660.56451937291-0.5275461407150.105207686523-0.3189878574740.0007184232132690.7593727534270.082084121637-0.334327582580.677530958917-0.3527815805711.0587527057232.481428184327.7557776505-70.7201957176
310.991078843771-0.309117077826-1.081198821491.93641670270.04599258389160.8864893043250.0860354358935-0.2491503049710.2205140634730.05270148127270.0228130132545-0.03062013452630.09015465518650.2201148458580.000189312758180.512622753773-0.0358173845132-0.02372077069140.554445953982-0.0001919677852910.36762501677947.003963091141.2071487791-54.8291140157
320.491610569813-0.4232614307580.1523859188410.433913004945-0.2113002916980.1119886000520.2316555314140.4124941347371.300248799630.8322295493820.31531028210.703640294334-0.6946384359350.08181351168160.0117007607510.881829354591-0.05591324030280.0358543918490.532959946204-0.05424631348990.64943364493644.938122419744.6282375479-59.1627340218
330.432929142369-0.402179504455-0.2673745306660.3554759560620.4909178011460.514868026335-0.147505017896-0.165969984225-0.4139807097320.1522522003120.0187725840935-0.2543468524850.8438362128830.08051506373720.0003229712574670.5319251876770.0873323772651-0.108971087710.6580551931650.004635946969540.49124598812644.359369677128.773615658-56.7189196409
340.449443522825-0.0230066609043-0.4692504437710.00132675092839-0.03541071534210.4493352547940.0386466159654-0.706852653333-1.02808136715-0.2989096310221.174399106220.4715247716540.104696597804-0.6038551093270.0173027300760.6657594655280.0567274139666-0.08234660436860.4830365872320.1697755775830.67031234942249.564884098218.7219533207-54.0308614896
350.601534546089-0.296529473873-0.6886936248520.1608208429710.3319275247450.6742717240280.8772202166890.2355222202450.513217434156-0.15208517843-0.545177592897-0.7980403842550.730340729634-0.6653833029550.01753765554510.7092616776340.0881341056176-0.03393867447320.619123102314-0.02417456211840.28941152229745.964895357229.8298917737-67.9262034197
362.143670200961.222716509971.415282380541.25296189104-0.9001140533861.23406232557-0.1381003709940.253467106136-0.604275754033-0.2637108937780.0700609164259-0.349675633140.471788321792-0.294149545766-0.008513979362960.3391598325150.08776064748610.1002107916190.313041838248-0.05120119794860.4085896737471.2585083633-1.75945427214-59.6072427233
370.661044054487-0.6777781893550.9559619581711.0648260577-1.689657697631.96241376029-0.06021782129640.108657249896-0.328163537375-0.302491503722-0.0602256970005-0.399746245615-0.04288908457170.2297390235070.0004530758060530.439398349636-0.03621674173280.03657671830650.4397400822880.01223809949120.4355042756672.34779399122.5857430346-53.7600804009
380.936234268588-0.8940643169060.1854774265490.743670485731-0.7449211845660.635937339731-0.1036609391820.0469695228356-0.178558716893-0.3417370323060.1373613660840.0271744837310.01796410499150.06561120159010.0001019397061360.5941821651260.04175785088340.007707742404130.486188720813-0.02223687057160.390659560356.153552055718.9849629908-68.5216268802
391.89270128970.311588372156-1.410608187662.67119166622-0.3702152435361.07387693857-0.5476698181430.3643197862780.940256366713-0.7959612831120.8749431835831.148385023980.8176765903790.6760531045920.298575171131.94425629867-0.291429595392-0.2453560565720.7128624245610.1031966595190.83409762091340.72253591819.2307848666-81.5131840699
401.65756814680.2828190084611.171767729110.08507947889820.3566471740910.492744172751-0.221258697818-0.152035485427-0.413218349417-0.3165643218810.226515644557-0.454796063059-0.237272123543-1.06515717359-0.02067778397350.6888691509610.1596435077610.03678679589940.757485563912-0.04941721295720.53009548011455.02547530818.98635840942-69.0156662683
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'C' and (resid 6 through 36 )
2X-RAY DIFFRACTION2chain 'C' and (resid 37 through 73 )
3X-RAY DIFFRACTION3chain 'C' and (resid 74 through 93 )
4X-RAY DIFFRACTION4chain 'C' and (resid 94 through 127 )
5X-RAY DIFFRACTION5chain 'C' and (resid 128 through 148 )
6X-RAY DIFFRACTION6chain 'C' and (resid 149 through 160 )
7X-RAY DIFFRACTION7chain 'W' and (resid 1 through 23 )
8X-RAY DIFFRACTION8chain 'W' and (resid 24 through 46 )
9X-RAY DIFFRACTION9chain 'W' and (resid 47 through 60 )
10X-RAY DIFFRACTION10chain 'W' and (resid 61 through 77 )
11X-RAY DIFFRACTION11chain 'W' and (resid 78 through 92 )
12X-RAY DIFFRACTION12chain 'W' and (resid 93 through 98 )
13X-RAY DIFFRACTION13chain 'Z' and (resid 17 through 38 )
14X-RAY DIFFRACTION14chain 'Z' and (resid 39 through 58 )
15X-RAY DIFFRACTION15chain 'Z' and (resid 59 through 82 )
16X-RAY DIFFRACTION16chain 'Z' and (resid 83 through 112 )
17X-RAY DIFFRACTION17chain 'F' and (resid 3 through 106 )
18X-RAY DIFFRACTION18chain 'F' and (resid 107 through 220 )
19X-RAY DIFFRACTION19chain 'A' and (resid 5 through 36 )
20X-RAY DIFFRACTION20chain 'A' and (resid 37 through 73 )
21X-RAY DIFFRACTION21chain 'A' and (resid 74 through 83 )
22X-RAY DIFFRACTION22chain 'A' and (resid 84 through 127 )
23X-RAY DIFFRACTION23chain 'A' and (resid 128 through 138 )
24X-RAY DIFFRACTION24chain 'A' and (resid 139 through 161 )
25X-RAY DIFFRACTION25chain 'D' and (resid 1 through 9 )
26X-RAY DIFFRACTION26chain 'D' and (resid 10 through 23 )
27X-RAY DIFFRACTION27chain 'D' and (resid 24 through 35 )
28X-RAY DIFFRACTION28chain 'D' and (resid 36 through 60 )
29X-RAY DIFFRACTION29chain 'D' and (resid 61 through 93 )
30X-RAY DIFFRACTION30chain 'D' and (resid 94 through 98 )
31X-RAY DIFFRACTION31chain 'E' and (resid 17 through 53 )
32X-RAY DIFFRACTION32chain 'E' and (resid 54 through 66 )
33X-RAY DIFFRACTION33chain 'E' and (resid 67 through 82 )
34X-RAY DIFFRACTION34chain 'E' and (resid 83 through 96 )
35X-RAY DIFFRACTION35chain 'E' and (resid 97 through 112 )
36X-RAY DIFFRACTION36chain 'B' and (resid 3 through 53 )
37X-RAY DIFFRACTION37chain 'B' and (resid 54 through 106 )
38X-RAY DIFFRACTION38chain 'B' and (resid 107 through 164 )
39X-RAY DIFFRACTION39chain 'B' and (resid 165 through 174 )
40X-RAY DIFFRACTION40chain 'B' and (resid 175 through 220 )

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