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- PDB-6sne: crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide -

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Basic information

Entry
Database: PDB / ID: 6sne
Titlecrystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide
Components
  • Envelope glycoprotein gp160
  • LN01 heavy chain
  • LN01 light chain
KeywordsIMMUNE SYSTEM / gp41 / antibody / complex / MPER
Function / homology
Function and homology information


virus-mediated perturbation of host defense response => GO:0019049 / : / Synthesis and processing of ENV and VPU / evasion of host immune response / Alpha-defensins / Dectin-2 family / Binding and entry of HIV virion / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity ...virus-mediated perturbation of host defense response => GO:0019049 / : / Synthesis and processing of ENV and VPU / evasion of host immune response / Alpha-defensins / Dectin-2 family / Binding and entry of HIV virion / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / virus-mediated perturbation of host defense response / host cell endosome membrane / actin filament organization / Assembly Of The HIV Virion / Budding and maturation of HIV virion / clathrin-dependent endocytosis of virus by host cell / membrane => GO:0016020 / viral protein processing / symbiont entry into host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / structural molecule activity / membrane / plasma membrane
Similarity search - Function
Envelope glycoprotein Gp160 / Retroviral envelope protein / Retroviral envelope protein GP41-like / Gp120 core superfamily / Envelope glycoprotein GP120 / Human immunodeficiency virus 1, envelope glycoprotein Gp120 / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
PHOSPHOCHOLINE / Envelope glycoprotein gp160 / Envelope glycoprotein gp160
Similarity search - Component
Biological speciesHuman immunodeficiency virus 1
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.9 Å
AuthorsCaillat, C. / Pinto, D. / Corti, D. / Fenwick, C. / Pantaleo, G. / Weissenhorn, W.
Funding support Switzerland, France, 3items
OrganizationGrant numberCountry
Bill & Melinda Gates FoundationOPP1114725 Switzerland
Bill & Melinda Gates FoundationOPP1032144 Switzerland
European CommissionNo. 681137, H2020 EAVI France
CitationJournal: Cell Host Microbe / Year: 2019
Title: Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Authors: Pinto, D. / Fenwick, C. / Caillat, C. / Silacci, C. / Guseva, S. / Dehez, F. / Chipot, C. / Barbieri, S. / Minola, A. / Jarrossay, D. / Tomaras, G.D. / Shen, X. / Riva, A. / Tarkowski, M. / ...Authors: Pinto, D. / Fenwick, C. / Caillat, C. / Silacci, C. / Guseva, S. / Dehez, F. / Chipot, C. / Barbieri, S. / Minola, A. / Jarrossay, D. / Tomaras, G.D. / Shen, X. / Riva, A. / Tarkowski, M. / Schwartz, O. / Bruel, T. / Dufloo, J. / Seaman, M.S. / Montefiori, D.C. / Lanzavecchia, A. / Corti, D. / Pantaleo, G. / Weissenhorn, W.
History
DepositionAug 23, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 6, 2019Provider: repository / Type: Initial release
Revision 1.1Nov 27, 2019Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.2Jul 29, 2020Group: Data collection / Derived calculations / Structure summary
Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_site / struct_site_gen
Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_role
Description: Carbohydrate remediation / Provider: repository / Type: Remediation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
O: Envelope glycoprotein gp160
A: LN01 light chain
B: LN01 heavy chain
E: LN01 light chain
F: LN01 heavy chain
N: Envelope glycoprotein gp160
L: LN01 light chain
H: LN01 heavy chain
P: Envelope glycoprotein gp160
C: LN01 light chain
D: LN01 heavy chain
J: Envelope glycoprotein gp160
hetero molecules


Theoretical massNumber of molelcules
Total (without water)228,07126
Polymers225,34412
Non-polymers2,72614
Water0
1
O: Envelope glycoprotein gp160
A: LN01 light chain
B: LN01 heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,9266
Polymers56,3363
Non-polymers5903
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
E: LN01 light chain
F: LN01 heavy chain
N: Envelope glycoprotein gp160
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,9266
Polymers56,3363
Non-polymers5903
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
L: LN01 light chain
H: LN01 heavy chain
P: Envelope glycoprotein gp160
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,1107
Polymers56,3363
Non-polymers7744
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
C: LN01 light chain
D: LN01 heavy chain
J: Envelope glycoprotein gp160
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,1107
Polymers56,3363
Non-polymers7744
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)65.686, 144.644, 409.405
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
31
41
12
22
32

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain 'A' and (resid 1 through 102 or resid 104 through 210))A1 - 102
121(chain 'A' and (resid 1 through 102 or resid 104 through 210))A104 - 210
231(chain 'C' and (resid 1 through 102 or resid 104 through 210))C1 - 102
241(chain 'C' and (resid 1 through 102 or resid 104 through 210))C104 - 210
351(chain 'E' and (resid 1 through 102 or resid 104 through 210))E1 - 102
361(chain 'E' and (resid 1 through 102 or resid 104 through 210))E104 - 210
471(chain 'L' and (resid 1 through 102 or resid 104 through 210))L1 - 102
481(chain 'L' and (resid 1 through 102 or resid 104 through 210))L104 - 210
192(chain 'B' and (resid 2 through 126 or resid 135 through 214))B2 - 126
1102(chain 'B' and (resid 2 through 126 or resid 135 through 214))B135 - 214
2112(chain 'F' and (resid 2 through 126 or resid 135 through 214))F2 - 126
2122(chain 'F' and (resid 2 through 126 or resid 135 through 214))F135 - 214
3132(chain 'H' and (resid 2 through 126 or resid 135 through 214))H2 - 126
3142(chain 'H' and (resid 2 through 126 or resid 135 through 214))H135 - 214

NCS ensembles :
ID
1
2

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Components

#1: Protein
Envelope glycoprotein gp160 / Env polyprotein


Mass: 7481.677 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: env / Production host: Escherichia coli K-12 (bacteria) / References: UniProt: Q74599, UniProt: P04578*PLUS
#2: Antibody
LN01 light chain


Mass: 23333.877 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Antibody
LN01 heavy chain


Mass: 25520.502 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
#5: Chemical
ChemComp-PC / PHOSPHOCHOLINE / Phosphocholine


Mass: 184.151 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C5H15NO4P / Feature type: SUBJECT OF INVESTIGATION
Has ligand of interestY

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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: 4.63 Å3/Da / Density % sol: 73.41 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop
Details: 0.1 M HEPES pH 7.5 9 % PEG 8000 8 % Ethylene glycol 10 mM Mn Cl2

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.9763 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Apr 9, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9763 Å / Relative weight: 1
ReflectionResolution: 3.9→49.63 Å / Num. obs: 35232 / % possible obs: 96.2 % / Redundancy: 4.2 % / Biso Wilson estimate: 104.71 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.144 / Net I/σ(I): 7
Reflection shellResolution: 3.9→4.09 Å / Rmerge(I) obs: 0.555 / Mean I/σ(I) obs: 2.7 / Num. unique obs: 3519 / CC1/2: 0.776

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Processing

Software
NameVersionClassification
PHENIX1.15.2_3472refinement
XDSdata reduction
Aimlessdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.9→49.63 Å / SU ML: 0.4624 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.205
RfactorNum. reflection% reflection
Rfree0.2606 1726 4.9 %
Rwork0.2179 --
obs0.2201 35206 95.85 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 123.98 Å2
Refinement stepCycle: LAST / Resolution: 3.9→49.63 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14832 0 166 0 14998
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.006515395
X-RAY DIFFRACTIONf_angle_d1.166721045
X-RAY DIFFRACTIONf_chiral_restr0.12392369
X-RAY DIFFRACTIONf_plane_restr0.00852608
X-RAY DIFFRACTIONf_dihedral_angle_d16.93415357
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.9-4.010.33971510.28722799X-RAY DIFFRACTION98.6
4.01-4.140.25551250.25752808X-RAY DIFFRACTION96.8
4.14-4.290.26871640.22812793X-RAY DIFFRACTION99.23
4.29-4.460.23661550.21422736X-RAY DIFFRACTION96.66
4.46-4.670.21751440.19892819X-RAY DIFFRACTION96.67
4.67-4.910.24751340.19542721X-RAY DIFFRACTION95.74
4.91-5.220.23251440.18522768X-RAY DIFFRACTION95.82
5.22-5.620.23581370.19262806X-RAY DIFFRACTION96.49
5.62-6.190.2621300.21032809X-RAY DIFFRACTION96.05
6.19-7.080.26391410.21542787X-RAY DIFFRACTION94.6
7.08-8.910.24581160.21452817X-RAY DIFFRACTION93.71
8.91-49.630.28481850.23162817X-RAY DIFFRACTION90.69
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)
11.143559624790.5192214140790.178659790231.09189903829-1.083744288261.55146008469-0.3494828874980.3409415594580.3536655690060.5669759910910.499733425825-0.4476635136880.1071111071170.448477611423-0.381615990641.78878087745-0.637524633142-0.465566219383-0.374055033006-0.8895865055730.794653709726-15.898198226546.8866386448-60.5463508778
26.087751264333.84623560586-1.566939821288.774491180190.004196797551195.383025926480.351047891421-0.79194682780.4258058981940.955376524518-0.7497972468311.20042910210.6254170319560.5887984827270.3087120332671.43282732588-0.333217183562-0.1794725604870.99128087110.01826251708350.690857044881-21.02055233534.3573696515-52.4043585443
37.17197489657-0.144030816469-1.622457622576.95635237413-1.978364662312.007476492190.0593312877758-0.693667661361-0.6747220949842.13655938768-0.430369233592-0.891433309423-0.1185999638882.591531601310.3993401050691.22305490737-0.1999608172480.003463370642530.9034267847480.02842079019420.985877715579-18.567377816716.173571403-61.0758404989
41.997128975990.300729767698-1.420695850936.951963128170.1878525637162.477624194830.434933551754-1.000971494580.1110444695862.41160533976-0.03146591710930.6414192394240.03039121052190.514613002405-0.2919726839461.84105837941-0.1731990916940.2706258063881.145425924070.05877700181020.915350540848-19.951429792159.1680074205-41.0021277984
55.42770183042-0.650632533729-4.342940228335.347097827773.208407969495.907005643530.4933934562860.2084907771441.99969873142-0.7852503407870.03103997046960.1327223568740.2688302424290.410826336288-0.5158734361762.10044098144-0.38263689520.2500823047141.57952480088-0.07590119050581.54568705267-13.184565299594.534340438-34.284134559
61.260757716321.08779091837-1.758901412043.29568141829-0.6806295412032.597822097051.14616287223-0.319737600504-0.2205781916770.265671550835-1.89085949528-1.190087267460.5071636646140.7222769607250.7106596025411.2267489265-0.14554748601-0.1089980949531.050549899210.1234979370181.197550010521.5192041973163.7059747422-55.6171848458
75.729381990321.287064027580.6519262103446.66483810746-2.063609552898.20722255460.0782898850444-0.0232823475137-0.4309186044570.852739560483-0.1294167367860.4003992772561.07953192675-0.5609925865410.0544365830781.481809634310.0555405155416-0.08206079195780.841347555165-0.05366804821771.0463965025-8.1977281533359.907598317-58.9969203739
81.002710604432.148733774740.4351822272764.53416864697-2.14881218511.680013910870.3792557022360.394636990151-0.3019693021270.240929266188-0.109947221651-0.5378237956910.485858047674-0.238778932884-0.259495706731.642882794050.00190430826898-0.006545519532310.956715002765-0.1002722009781.12282353647-6.2973338505558.0345721718-53.1103900484
93.6459018755-2.2296447414-1.469285134953.04606024062.969294750893.61723574633-0.446071472454-0.740827717841.44394198481-0.6261829024660.2627027009260.644228705003-0.257747375441.300039759470.1803068581111.75731530911-0.7093223972170.1800546887481.54122410453-0.1716487762081.18306850666-0.11133648865990.2623443851-47.379730803
106.53487742213-0.563136422584-4.065821516634.90696793977-1.274146388616.013601256150.19837600467-1.602492612810.767146124366-0.4726557005520.556274497308-0.2773311382890.8613059127421.00855385889-0.8361465537261.6945358457-0.2649198981880.1002867550821.78147679537-0.2709771225761.203530846020.43510958256487.0236360312-37.6159168524
114.51818461799-3.921783039132.788654437574.50635091351-0.8084431336874.061597384730.2665343695532.434422299962.36464154569-0.2679756943540.136271977849-1.15341101324-0.4089534654431.98710272364-0.0827798600231.83716454256-1.136668095820.6886517426812.07461180648-0.415387520352.089258659858.2191804765892.7933634993-36.90477462
125.20104803409-1.541782339634.208996537893.338431338580.7134801935137.100698311270.343616993945-0.342209873052-0.41384827299-0.304417438818-0.05610823529240.3696687339651.91758127146-0.181152577176-0.3306178531051.11459055823-0.0007315563886210.1066266438530.8998917431980.387481948041.22085645148-35.938532715512.5543061143-89.0273490078
132.77963905393.208389967923.543554707117.026072931765.720115230067.668822237911.54721948061-0.220797310936-0.3071225342360.761300564097-0.323537130755-0.8794471603720.7976321221341.22297542583-1.305458301681.35968254021-0.0400602490326-0.1397015210971.062592548070.1331288561621.5223819081-42.60746364061.40379195579-106.856433782
144.345186423312.88511435078-1.974131662042.987123118240.5836267008348.000223977440.1314413542520.234451224955-0.3914606913860.2545570855860.28901646174-0.742150708217-0.4577956635170.195073199724-0.3504379060481.0042345450.292470184647-0.05823596079760.6957231978630.05947988822231.37105674413-39.17900360859.29978094871-126.838732153
152.703590366572.870724568150.772385412894.57436195321-3.072464409119.869523342-0.127004019418-0.4887820685130.3374923204440.1168527487940.2632755266310.107116426787-0.522809939894-0.0101240474425-0.05540259599211.048986882880.3927480137130.1485475151440.6631124322910.07958156042620.826207936301-37.627348247233.7530904729-95.0286828889
161.92798900790.1281136174241.173904156543.91466230121-4.717056293128.687641523280.189380664219-0.09603483001280.5307641142450.7548162227530.09251820307480.0966543024673-1.04354599097-0.0737648818664-0.2325190531760.982648949345-0.02133215919370.09448173324310.7433772682450.1466637789360.993238605135-34.832490320433.1937564615-93.0302234391
172.975807989391.566515047670.5435372430113.706078340670.8662424895016.368790664450.08966981999180.3845861581180.498661457090.162679769521-0.4996266407190.188174744994-0.5399876784860.001972849528320.2950497956350.9711371098310.165892028359-0.02315533889820.8848247674310.07547655845270.956040205477-50.288357693519.6625740477-123.538259774
181.854585787140.730146710877-0.395893952186-0.0645010970838-1.170512992041.709460341130.497862408691-0.537497697712-0.4779200957770.0581785694606-0.01704788624680.4253182360170.423080507405-0.785364196849-0.08802736830891.82965405629-0.258110410151-0.06841912467040.9021244987880.2317759130760.881837545028-28.602088456821.3742854745-56.7347901056
194.527851951530.971071530372-1.719886776197.7964955302-1.349444371577.803625754940.3070819056560.37536619937-0.06278300859490.469249120978-0.388494489172-0.595988938863-0.5430114051860.7722915352920.02873646264660.513704347681-0.132325584077-0.03277793437990.7277735182980.02946106205050.748924339542-51.1294425223-2.3101079255-19.9647642172
203.940756837412.33875807737-4.351361041981.9076011045-2.882705707544.904644516430.14930565646-0.9077926290390.360455903073-1.148843473680.549345037320.5786056597580.9416149493112.61548465455-0.7525109160671.15936132864-0.192861974181-0.1372051259031.09237458902-0.02181949106020.835248611328-56.3823959972-8.055623469120.278177588695
210.2541289570461.5087599631-0.33323132727.239267465410.6292227764644.43252695-0.212894487157-0.0984092476252-0.2196018442010.04532051566340.07705019670520.158943698944-0.2420839773540.2194981641710.1634293965010.258023192442-0.02083315742380.002477247791461.095951302070.06080372082960.748429483934-59.2453897877-29.24468671846.20841536209
222.44901768347-0.379550293367-0.7348216808579.369465381091.145423516984.728942163630.1418336814790.1205945801280.255111782040.117698081208-0.1650440688830.096141497289-0.0324624057532-0.171619080869-0.05852638501340.494600087989-0.0668673799370.02353527701010.8612180883180.2017016095240.714264414729-59.9214730934-18.4098344488-32.0322268779
233.53426367353-1.88019042278-0.4610575133139.437188442820.145649710333.986986017590.4098025120950.6130035526040.199324577559-1.07410247431-0.494888286781-0.485607954617-0.0774928127991-0.09454394012850.110423801630.3789173665270.1176518942220.1111145055370.706451535070.05910949292930.554804626552-56.451512103-14.8345473415-35.2259023131
245.799021460051.00891058566-2.568153106951.28082181474-0.08138113803267.58965205305-0.5704339900740.137009400658-1.06284592452-0.528605208424-0.7891121399250.925031690822-0.322595566171-0.4830938284070.629873361947-0.3336286919210.03373969561970.0364334047280.830597216170.3292854056551.25793217886-67.6465243393-32.1619196774-2.94226983934
253.39643552696-0.605436319473-0.5022957491887.022714064042.219543370375.821821083910.0969367334879-0.159467612519-0.285463967179-0.196565143516-0.02353619894190.294769818853-0.213507961031-0.317723670294-0.1600543653210.329218188345-0.0885308798224-0.03269905060461.256287079630.2085541493490.81186699446-72.391336461-28.5868297677-4.21458763245
262.013099553095.587919083712.017049652126.75198270542-3.139094964472.001844354951.48370291616-0.05896024677973.012537713031.167995159260.4684905259051.29835757203-1.888523772720.672412647784-0.4829425116870.506476915363-0.440042551807-0.251597425340.8064140359960.270217939369-0.117583808113-40.0363898205-16.7763663307-45.09675918
271.30760949941-1.133129383321.990532346255.0356088139-1.528446574442.55612170432-0.500089254911-0.393134343167-0.119220718490.9736273053341.066931265820.165306872628-0.7199852588170.221528788344-0.7703920976831.340705547330.04467531722410.3684317455190.9085688551330.2301774103880.985813643541-44.84369604914.84300907644-44.5277269243
284.18974871003-3.32929341129-3.463517451293.420145686363.288447999353.49589078191.313699953732.624812123922.6843307308-2.349737848410.7863006933570.0207187912594-2.129619688050.00661577263677-1.556166104231.26738098133-0.3556375661870.1827922468531.591747039960.2339013382711.21782494804-39.959084619212.2263158501-64.4733795918
296.90047673207-4.67898844761-2.820387906115.19420984349-1.307537584925.997136298290.2522433718342.33058546989-0.638172803212-1.84060700756-0.484139593079-0.537229780853-0.0704229458563-0.9576105082610.2587744232021.296426558990.1207721898790.01950816811010.796911538218-0.02815590303670.701637238186-12.9009838667-6.81301533475-80.3665395822
306.58085230621-2.016034360211.169842981734.55221986709-2.466724933299.09301350204-0.163110153251-0.544574180854-0.507362412804-1.314291446290.04515522598830.1002933790160.325612568466-1.845536495980.0405923872420.795817269303-0.0215736244750.05307699211840.595291918864-0.1020993279510.855508755197-19.3017970033-4.57550030517-72.9880177722
319.324250352183.85723988477-3.164063777478.6736347290.3468382425262.22897880731.18335190909-1.280727755550.9886382392030.798544003979-0.744965999719-0.359539187914-0.05279527830180.738185062969-0.6070300041481.07371535488-0.07340382662520.04685989330610.9116879068160.1725482463520.790315934104-8.93298051315-3.13747050121-66.3097761656
321.937246839130.4923871639040.08138318479456.449688532580.9333506506032.340028055930.0749107683147-0.610437166159-0.0148928214626-1.155921525980.0169062430424-0.5308886820320.3545218455940.2758937634710.02503272437270.941600729746-0.08564407530820.1858786396520.7521250479270.1402380891130.811658840726-10.9408053858-2.61986188518-74.3301373856
332.71803108569-2.030027686631.097680286638.945288415991.003571254476.90705859558-0.1650021874390.0655282411020.65505117383-0.2929864792110.08475253426340.184596344217-1.02193378375-0.5517740562410.4668355110690.626136871672-0.0851468286803-0.1362788129690.9500684523040.3672966718150.602273716806-23.8241483407-11.5820723525-68.9848420077
347.74413584859-4.69468415442-7.608692301692.862309267744.661403621438.583904506690.07007709980642.467494598160.300293332275-0.926521416641-0.575775925629-0.4300476548690.338332390586-1.988077000970.189021927551.00295782359-0.05458926307240.3316963803681.232386784530.1658780335071.027624294651.47077020407-10.6812084814-86.6475518932
352.986072124531.3760810329-1.547593502775.720521757371.563800189035.464331154690.3225536121160.463146168599-0.305604812435-0.3215937475420.0755432414211-0.935098678793-0.118640239243-0.259163094307-0.3221777046010.952495973499-0.1041957906410.09609292006310.817419519115-0.0450957479861.044368509025.63789322544-32.1220961663-89.1346037829
364.393367298853.45040356985-0.4712895407577.35206216029-0.3119876732562.68373184459-1.009632238340.7095169347771.23069554002-0.8277180894810.7617046507381.86761671937-1.140064574712.747467158630.1698911670840.852552057911-0.117260230638-0.06775280905631.44849868173-0.01554389943860.917917492594-2.47532063928-34.7947495203-92.9542473186
374.262214185281.72801018021-1.488223325062.01486363394.3351789858.752446105360.561700082591-2.59884246210.2293102263440.02354310086870.852660163738-1.192705820322.95376222470.898903971363-0.7135033840181.51930189834-0.3204092691640.4711510077651.23321636647-0.04077691677751.2416324365.58164025047-15.3398888611-81.3935597883
387.61617699668-2.23542458577-0.653537417372.87279140483-3.332007690415.664961372260.293281407758-0.45106106555-1.35818372055-3.5427061682-0.122195310206-0.07056292353942.2697892078-0.591222964103-0.1079384321262.0132130080.0134245562937-0.08308335604021.1130425339-0.1883933152781.239767740342.44525405133-42.24484984-90.0670500967
395.27028559335-1.0159705927-0.9885969529896.063855689380.5670057344011.61666264206-0.1459554115220.497802758459-0.628549018112-0.3662343129550.2700682725131.53450722045-0.6916829422040.0210595033531-0.1086970842341.355491856470.0959547981070.1889339148580.851857315147-0.2545224847190.6058433265296.08394785359-31.4785670552-98.4398633416
404.100836151961.403748800111.759961016818.41350515594-0.08880123803832.98863494347-0.06939832229760.157203165506-0.619966390331-0.3881814861040.1453440632540.03412053245810.6746325047170.368525207028-0.1259721058550.823585172516-0.09761510053810.05964040437460.7536848286330.1042894623350.639823423567-14.5738112278-21.2110159318-58.0763420308
414.563037759350.473501218614-0.682730963646.54412655503-2.151078570372.72791144302-0.157764944432-0.316908536692-0.479115980343-0.2749617991510.4170185279870.9478300474320.336444401601-0.741374157489-0.2342203208090.578131641522-0.0430121392431-0.02564998609130.7862905362520.02034785184130.711078948824-20.7070371826-17.4638627024-56.7576308613
421.70183816472-1.62971845495-2.181507641352.675411498371.614718395812.39625002278-0.277321904068-0.277532053903-0.1575599500770.1362493302550.401660366723-0.1139310682780.4398465214420.494691327116-0.2239797787140.8920843771610.06124098426990.0185327611030.95734238966-0.1352467479010.778813987168.00360842141-31.8230973242-74.9264800107
430.592750122257-1.48148497508-0.09757613142757.174074922691.296518995092.379888317291.278562800531.38212497778-0.0975059291119-1.18116350944-0.454354838631-0.41079435382-1.288042429920.804691075291-0.212841237870.993595239657-0.1630640930490.4830189335780.6162078705220.3996323296320.766878314024-34.52327781086.29151056377-55.4359653582
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'O' and (resid 671 through 675 )
2X-RAY DIFFRACTION2chain 'O' and (resid 676 through 692 )
3X-RAY DIFFRACTION3chain 'O' and (resid 693 through 709 )
4X-RAY DIFFRACTION4chain 'A' and (resid 1 through 101 )
5X-RAY DIFFRACTION5chain 'A' and (resid 102 through 210 )
6X-RAY DIFFRACTION6chain 'B' and (resid 2 through 33 )
7X-RAY DIFFRACTION7chain 'B' and (resid 34 through 72 )
8X-RAY DIFFRACTION8chain 'B' and (resid 73 through 109 )
9X-RAY DIFFRACTION9chain 'B' and (resid 110 through 134 )
10X-RAY DIFFRACTION10chain 'B' and (resid 135 through 203 )
11X-RAY DIFFRACTION11chain 'B' and (resid 204 through 215 )
12X-RAY DIFFRACTION12chain 'E' and (resid 1 through 101 )
13X-RAY DIFFRACTION13chain 'E' and (resid 102 through 113 )
14X-RAY DIFFRACTION14chain 'E' and (resid 114 through 210 )
15X-RAY DIFFRACTION15chain 'F' and (resid 2 through 52 )
16X-RAY DIFFRACTION16chain 'F' and (resid 53 through 119 )
17X-RAY DIFFRACTION17chain 'F' and (resid 120 through 215 )
18X-RAY DIFFRACTION18chain 'N' and (resid 670 through 710 )
19X-RAY DIFFRACTION19chain 'L' and (resid 1 through 101 )
20X-RAY DIFFRACTION20chain 'L' and (resid 102 through 113 )
21X-RAY DIFFRACTION21chain 'L' and (resid 114 through 213 )
22X-RAY DIFFRACTION22chain 'H' and (resid 2 through 52 )
23X-RAY DIFFRACTION23chain 'H' and (resid 53 through 108 )
24X-RAY DIFFRACTION24chain 'H' and (resid 109 through 135 )
25X-RAY DIFFRACTION25chain 'H' and (resid 136 through 215 )
26X-RAY DIFFRACTION26chain 'P' and (resid 666 through 671 )
27X-RAY DIFFRACTION27chain 'P' and (resid 672 through 692 )
28X-RAY DIFFRACTION28chain 'P' and (resid 693 through 709 )
29X-RAY DIFFRACTION29chain 'C' and (resid 1 through 18 )
30X-RAY DIFFRACTION30chain 'C' and (resid 19 through 38 )
31X-RAY DIFFRACTION31chain 'C' and (resid 39 through 61 )
32X-RAY DIFFRACTION32chain 'C' and (resid 62 through 90 )
33X-RAY DIFFRACTION33chain 'C' and (resid 91 through 101 )
34X-RAY DIFFRACTION34chain 'C' and (resid 102 through 113 )
35X-RAY DIFFRACTION35chain 'C' and (resid 114 through 150 )
36X-RAY DIFFRACTION36chain 'C' and (resid 151 through 163 )
37X-RAY DIFFRACTION37chain 'C' and (resid 164 through 174 )
38X-RAY DIFFRACTION38chain 'C' and (resid 175 through 188 )
39X-RAY DIFFRACTION39chain 'C' and (resid 189 through 212 )
40X-RAY DIFFRACTION40chain 'D' and (resid 2 through 52 )
41X-RAY DIFFRACTION41chain 'D' and (resid 53 through 100I)
42X-RAY DIFFRACTION42chain 'D' and (resid 100J through 215 )
43X-RAY DIFFRACTION43chain 'J' and (resid 668 through 701 )

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