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- PDB-7mmn: Crystal Structure of the Prefusion RSV F Glycoprotein bound by hu... -

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Basic information

Entry
Database: PDB / ID: 7mmn
TitleCrystal Structure of the Prefusion RSV F Glycoprotein bound by human antibody AM14
Components
  • (Fusion glycoprotein ...) x 2
  • AM14 Fab Heavy Chain
  • AM14 Fab Light Chain
KeywordsIMMUNE SYSTEM/VIRAL PROTEIN / viral particle / antibody / IMMUNE SYSTEM / IMMUNE SYSTEM-VIRAL PROTEIN complex
Function / homology
Function and homology information


positive regulation of syncytium formation by virus / Translation of respiratory syncytial virus mRNAs / RSV-host interactions / Maturation of hRSV A proteins / Assembly and release of respiratory syncytial virus (RSV) virions / host cell Golgi membrane / Respiratory syncytial virus (RSV) attachment and entry / entry receptor-mediated virion attachment to host cell / symbiont entry into host cell / fusion of virus membrane with host plasma membrane ...positive regulation of syncytium formation by virus / Translation of respiratory syncytial virus mRNAs / RSV-host interactions / Maturation of hRSV A proteins / Assembly and release of respiratory syncytial virus (RSV) virions / host cell Golgi membrane / Respiratory syncytial virus (RSV) attachment and entry / entry receptor-mediated virion attachment to host cell / symbiont entry into host cell / fusion of virus membrane with host plasma membrane / viral envelope / host cell plasma membrane / virion membrane / identical protein binding / plasma membrane
Similarity search - Function
Precursor fusion glycoprotein F0, Paramyxoviridae / Fusion glycoprotein F0
Similarity search - Domain/homology
Fusion glycoprotein F0
Similarity search - Component
Biological speciesHomo sapiens (human)
Human respiratory syncytial virus
Enterobacteria phage T4 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.57 Å
AuthorsHarshbarger, W. / Malito, E.
CitationJournal: MAbs / Year: 2021
Title: Improved epitope resolution of the prefusion trimer-specific antibody AM14 bound to the RSV F glycoprotein.
Authors: Wayne Harshbarger / Priyanka D Abeyrathne / Sai Tian / Ying Huang / Sumana Chandramouli / Matthew James Bottomley / Enrico Malito /
Abstract: Respiratory syncytial virus (RSV) is the most common cause of acute lower respiratory tract infections resulting in medical intervention and hospitalizations during infancy and early childhood, and ...Respiratory syncytial virus (RSV) is the most common cause of acute lower respiratory tract infections resulting in medical intervention and hospitalizations during infancy and early childhood, and vaccination against RSV remains a public health priority. The RSV F glycoprotein is a major target of neutralizing antibodies, and the prefusion stabilized form of F (DS-Cav1) is under investigation as a vaccine antigen. AM14 is a human monoclonal antibody with the exclusive capacity of binding an epitope on prefusion F (PreF), which spans two F protomers. The quality of recognizing a trimer-specific epitope makes AM14 valuable for probing PreF-based immunogen conformation and functionality during vaccine production. Currently, only a low-resolution (5.5 Å) X-ray structure is available of the PreF-AM14 complex, revealing few reliable details of the interface. Here, we perform complementary structural studies using X-ray crystallography and cryo-electron microscopy (cryo-EM) to provide improved resolution structures at 3.6 Å and 3.4 Å resolutions, respectively. Both X-ray and cryo-EM structures provide clear side-chain densities, which allow for accurate mapping of the AM14 epitope on DS-Cav1. The structures help rationalize the molecular basis for AM14 loss of binding to RSV F monoclonal antibody-resistant mutants and reveal flexibility for the side chain of a key antigenic residue on PreF. This work provides the basis for a comprehensive understanding of RSV F trimer specificity with implications in vaccine design and quality assessment of PreF-based immunogens.
History
DepositionApr 29, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 8, 2021Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._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
L: AM14 Fab Light Chain
E: AM14 Fab Light Chain
G: AM14 Fab Light Chain
A: Fusion glycoprotein F2
B: Fusion glycoprotein F1,Fibritin
C: Fusion glycoprotein F2
I: Fusion glycoprotein F1,Fibritin
J: Fusion glycoprotein F2
K: Fusion glycoprotein F1,Fibritin
M: AM14 Fab Heavy Chain
H: AM14 Fab Heavy Chain
D: AM14 Fab Heavy Chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)312,89114
Polymers312,57812
Non-polymers3132
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: assigned by PISA
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)223.423, 183.002, 135.785
Angle α, β, γ (deg.)90.000, 103.138, 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
31
12
22
32
13
23
33
14
24
34

NCS domain segments:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11GLNGLNLEULEUchain 'A'AD26 - 961 - 71
21GLNGLNLEULEUchain 'C'CF26 - 961 - 71
31GLNGLNLEULEUchain 'J'JH26 - 961 - 71
12PHEPHELYSLYS(chain 'B' and resid 137 through 509)BE137 - 5081 - 372
22PHEPHELYSLYSchain 'I'IG137 - 5081 - 372
32PHEPHELYSLYSchain 'K'KI137 - 5081 - 372
13VALVALGLUGLUchain 'D'DL2 - 2222 - 222
23VALVALGLUGLUchain 'H'HK2 - 2222 - 222
33VALVALGLUGLUchain 'M'MJ2 - 2222 - 222
14ASPASPARGARGchain 'E'EB2 - 2162 - 216
24ASPASPARGARGchain 'G'GC2 - 2162 - 216
34ASPASPARGARGchain 'L'LA2 - 2162 - 216

NCS ensembles :
ID
1
2
3
4

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Components

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Fusion glycoprotein ... , 2 types, 6 molecules ACJBIK

#2: Protein Fusion glycoprotein F2


Mass: 8173.327 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human respiratory syncytial virus / Strain: A2 / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: P03420
#3: Protein Fusion glycoprotein F1,Fibritin


Mass: 45609.148 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human respiratory syncytial virus, (gene. exp.) Enterobacteria phage T4 (virus)
Strain: A2 / Gene: wac / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: P03420

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Antibody , 2 types, 6 molecules LEGMHD

#1: Antibody AM14 Fab Light Chain


Mass: 24029.707 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody AM14 Fab Heavy Chain


Mass: 26380.352 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Sugars / Non-polymers , 2 types, 2 molecules

#5: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 1
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
#6: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3

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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: 4.33 Å3/Da / Density % sol: 71.61 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / Details: 0.2M NaCl, 0.1M MES pH 6.0, 20% w/v PEG 2000 MME

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 13, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.57→42.33 Å / Num. obs: 62699 / % possible obs: 88.2 % / Redundancy: 3.6 % / Biso Wilson estimate: 49.77 Å2 / CC1/2: 0.96 / CC star: 0.99 / Rmerge(I) obs: 0.2 / Rpim(I) all: 0.13 / Rrim(I) all: 0.25 / Net I/σ(I): 8.3
Reflection shellResolution: 3.57→3.7 Å / Rmerge(I) obs: 0.89 / Mean I/σ(I) obs: 1.74 / Num. unique obs: 2848 / CC1/2: 0.51

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Processing

Software
NameVersionClassification
HKL-3000data reduction
HKL-3000data scaling
PHENIXphasing
Cootmodel building
PHENIX1.17.1_3660refinement
SERGUIdata collection
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4MMU, 4ZYK

4mmu

4zyk


Resolution: 3.57→42.33 Å / SU ML: 0.353 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.6398
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2453 1984 3.56 %
Rwork0.202 53742 -
obs0.2035 55726 87.92 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 50.73 Å2
Refinement stepCycle: LAST / Resolution: 3.57→42.33 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms20384 0 6 0 20390
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002520770
X-RAY DIFFRACTIONf_angle_d0.643728191
X-RAY DIFFRACTIONf_chiral_restr0.04423287
X-RAY DIFFRACTIONf_plane_restr0.00543583
X-RAY DIFFRACTIONf_dihedral_angle_d6.10922834
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.57-3.650.2865510.25871610X-RAY DIFFRACTION36.74
3.65-3.750.2884970.2592680X-RAY DIFFRACTION61.59
3.75-3.860.29551170.25153263X-RAY DIFFRACTION75.09
3.86-3.990.28041350.23973693X-RAY DIFFRACTION84.32
3.99-4.130.31431440.22513928X-RAY DIFFRACTION90.61
4.13-4.30.24421510.2084076X-RAY DIFFRACTION93.73
4.3-4.490.25051560.18924171X-RAY DIFFRACTION95.48
4.49-4.730.22411530.17154174X-RAY DIFFRACTION96.87
4.73-5.020.20811590.17334305X-RAY DIFFRACTION98.35
5.02-5.410.21071610.17864331X-RAY DIFFRACTION99.38
5.41-5.950.2281660.19294368X-RAY DIFFRACTION99.93
5.95-6.810.22421610.20724371X-RAY DIFFRACTION99.98
6.81-8.570.25341680.19744393X-RAY DIFFRACTION99.93
8.57-42.330.22881650.18884379X-RAY DIFFRACTION98.63
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)
11.41487114075-0.2603155925270.816921577210.913496962636-0.8320082392471.282208366540.01716124502870.1430131204950.18349623374-0.701118868626-0.03243585329020.266927042853-0.234848131353-0.7201638466850.01964962046880.9012075639820.388334898601-0.01931951011320.789141199904-0.1387249935160.4835453911752.41828244891.49747307204-6.2749361982
20.559236956142-0.01110248150670.004647073157821.0559635429-0.6721672694021.33615289929-0.0766692710758-0.2464812332570.10610782223-0.112294711979-0.188871596209-0.176671712674-0.2033923416720.2293205668880.2756837786690.210105709990.07249213526320.006634820133640.1907239800080.04111748956050.28750187884268.363727951324.231090509918.3382130435
30.1220182647610.0714683625364-0.1135528492260.0459655269566-0.06620781983230.107691356338-0.03335480220510.09804916582-0.0627481075658-0.311746701240.08185183447360.005033681530790.0465159792621-0.0695255126699-0.04199363508551.550156441660.08594008194690.1912163598351.26756246479-0.08630160916420.98081918309576.3581311217-9.210069723460.7200285019
41.13997603873-0.102086518331-0.09191564187731.42930155470.9515129142625.10241795523-0.010038258663-0.1731843974520.02899760965820.496573857143-0.1323778331170.01060731219840.295749556711-0.183633936590.1183672855390.6459023687810.1773723448830.04787875497410.9020496482290.1267426077390.35067827306270.7169919153-3.6449136745451.1355606532
51.81711128683-0.1256400388130.009659623395180.949899072521-0.08802521571121.31468448042-0.132890556724-0.506964711550.0742549333080.08899444414820.04759037441780.0235083646485-0.07714063220640.0245701196083-0.04141837233030.2283438470020.3230817197450.03703289725830.445731642593-0.002180650836740.33207423395678.44585145691.719633211325.2468099606
60.7461768275050.03831411210620.01469445586091.227895565970.1405959066370.0214077842529-0.0439994442861-0.721894894037-0.2463119680960.7414840389390.113863850051-0.450808629590.1707746308530.311355935588-0.03321746599840.7194451110780.07454068461-0.04393266291551.149803388240.1584286214410.60217979763883.99285003760.60243547651949.3853517701
70.517391377224-0.0837968005355-0.6162517483341.49812839945-0.1384193210940.777307173258-0.12278653678-0.4279717299020.1989381207810.816052473817-0.2218254985470.15551120002-0.2192949953470.2660286788620.2935916108590.465300637929-0.05133477982340.008913750955970.7241553780230.01542921798050.32962918349871.34111707287.0880853489743.6980234017
80.960702402045-0.4594014578950.5695838935533.23601047744-1.753647330421.89978011942-0.10189129263-0.05854507991520.01882802820370.240096055465-0.164905952346-0.346417571959-0.1183325998810.533469360110.0507507036980.1658216646170.1317486036340.1741541210390.528158525599-0.08120187751090.36744108336378.234369232112.755699565729.9011510815
90.601964719078-0.569157181872-0.1843366365961.068496797450.02287115392550.6878889673480.1310048662130.169454939355-0.0689697958359-0.367873740478-0.1922475370940.267597692558-0.247423614926-0.229580421998-0.08437891149540.4345659688790.266006834964-0.00339169534450.172597814067-0.06942023547260.35158415117755.426179803428.02980938429.71896585107
101.16451638822-0.09632778540630.3441214343831.01126804397-0.8791724444381.22988233875-0.02516806071460.132918126016-0.257566025204-0.359997471046-0.3569009672150.0687048574504-0.04622666440920.07086342298320.0218216227440.3080961648150.266021408575-0.08487135850770.205422161529-0.08227732315830.26734506960863.304662733924.26792489999.94384917263
110.9115180726830.534247251815-0.1835151630160.337116043201-0.2046714406310.4172127056590.2804511309250.2990062075610.006358192995980.06925062359710.00688496857624-0.08190041781830.2469211921890.0498839246787-0.1703596013810.7833688488420.320136671223-0.1981857207040.684053258267-0.1249988195150.46645812555950.967343484826.6450476862-0.659508489673
120.478546949879-0.065197778874-0.1389150402820.853319897195-0.02337981956130.4446421376590.06673737553460.1645509765580.129520365422-0.519968523751-0.02930360374970.155112510393-0.0198361121357-0.06220149200770.08285211680340.3009647299890.13724871348-0.0863650047908-0.05221737839340.1135787603080.19087772215347.340937749639.732450586916.9333240466
132.13874095623-0.47391804057-0.1926131018760.5363989135780.3233401864161.055024223240.15271078540.050908837912-0.284997965589-0.124656275969-0.1599567833890.1163621160690.4057699566110.14144741853-0.1103676068551.093245723570.371134497885-0.5257056700090.661315005003-0.2066417221950.85802420907243.482566140925.3553603048-4.14039931742
141.439817026390.5933322204252.04784908450.2444972163410.8432248597992.9129655069-0.07422379013860.234746751694-0.10303228456-0.1508372953560.06897283064290.06744803886240.2052848979130.136182096829-0.02537971566621.065285567360.2941279369-0.4150145867991.18822423355-0.3961331555170.86819054204543.843482229920.6248190832-14.7372145224
150.5632346002940.409376893233-0.2187591467695.04366963393-1.10154632711.193164691930.201049118630.3262904420260.446720395003-0.116442751720.0282900085597-0.56927544349-0.6802355491060.212628297252-0.06459988742970.409067684829-0.05915191466370.1243420753110.3425138531030.1116214384790.5106705987166.251785235375.216961117130.029873425
161.4267635035-0.183543317776-0.3583443050592.031862447860.1123165657061.183815408350.281518017835-0.06191298030250.04853413899390.142662900124-0.0938729121741-0.191971247262-0.08140138753620.00816792476021-0.08217295154940.271503857663-0.0133425077539-0.03613120293510.139060324620.07078205337080.074598811695459.691600781365.211823316630.7712351544
172.13035186095-1.764870144490.3716922911448.57259420547-0.2217298176941.86234918246-0.004934728736130.532111968292-0.107147651144-0.4008354690340.08699913041580.150831716661-0.1293605347430.00427092873744-0.05389249013480.40568418488-0.01554943682970.1150496958550.3809340944370.0256182326430.1491459592156.597423217761.158971651920.6280723266
180.75073112807-0.1935663028120.5236083165071.23922399252-0.3020173127991.93058725799-0.06569067829490.312128389058-0.00478138221979-0.29752492674-0.278905061286-0.265164470215-0.3101343725210.0685602722444-0.3008042577730.4379292514730.0168713879390.2198344287880.182158553864-0.008388320981280.10288642279759.541164742565.514528941128.1501769847
190.04407878343610.16230383976-0.03647387758790.674552407414-0.153413514360.0347240388748-0.1817960525580.0579027982456-0.0687494394457-0.5082808644160.0211706150579-0.0473149816770.123430600176-0.1797924284080.1491675616220.743169296196-0.126860874810.06347361052680.368991665412-0.05344730906590.45950123876466.591508637793.102539575739.1709942074
201.06802815362-0.4408018487790.5483479371140.379150240160.3713588608142.10320287608-0.3061750613280.0315586753210.306528670021-0.1010082406080.0677778526549-0.125261235947-0.05504374201950.06067062822510.1765761618990.596243779252-0.07775313895510.1825411656220.3459510322350.06845911279530.51064883168564.723092254394.083905226155.0056303969
211.81120001791-0.118919168865-0.288818244970.8499639849270.6345096364950.495705096678-0.1352481145760.08648557736040.191975872758-0.164062738347-0.0218661955661-0.0522574596029-0.28979004050.07385627423920.1459856098250.3825631794790.01290951089720.02921819414880.2556119676030.06137187458040.37193589989859.61636518491.216079434549.7760784827
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691.027585526080.545246730629-0.03137946727250.764147282004-0.01442919527740.96277511873-0.1729084493350.08316775034690.0799874658135-0.175471023040.1395449262420.369150517991-0.414661944416-0.0244997362623-0.03482250454020.7930449555480.04693707472110.1210777070540.499482398072-0.2101519900241.1065709031851.8712324653109.33539662758.3861341915
701.604392275490.7852949168890.8047347360551.599069297640.4933788344762.008061503870.107707373271-0.1668377885750.1150901711490.122996207381-0.1953764533660.02345299380140.136021488312-0.1110898425510.03337040511660.1912194730210.03459837060020.01335379780220.04223460778670.01226931219260.22856910593142.40452854221.927420014134.5454202474
710.5732766541810.818481864315-0.7099018817311.16960094786-1.017882035730.890938115546-0.002273530637420.1741768487520.4501955240450.199931871620.3912638947281.02449301588-0.376195597701-0.506251017471-0.3905196380241.046131579620.111839848674-0.3475154867161.289866112170.4114998638271.3901467907587.92707089222.469917778961.4480623965
720.600564953108-0.189827366103-0.07680264526491.47798248064-0.9205877916012.224004886820.120145831257-0.468929143294-0.1423046157770.2201907215420.0100963663838-0.08964636105070.357690252550.225061231094-0.06247126090920.460731524736-0.0479830044432-0.3042237283810.6626139366580.1742257821590.62170718137276.212267614723.658441787448.7841713342
731.002705383840.4238923076270.3749786667561.06353729080.8784807446012.224562677560.218854686004-0.08818238047580.02151752419850.13858561445-0.171237592871-0.1063954908710.2841820240020.0610712692389-0.1146314332910.1504374993130.07202619887-0.03503851921150.1937398142350.09251492638270.25507633729354.786288332137.567866823336.9400621543
740.1807381334250.4346405783-0.213362331561.36470885404-0.116194923080.748137436835-0.072041261438-0.107457317538-0.06617645331020.878540303128-0.288666608434-0.764840774806-0.2177194752930.5536561465910.3788481002250.8055933526290.0581398288114-0.2867378491470.8786796260550.0331276472760.58007984792273.437251937628.909254730262.1080277781
751.084561978920.494123788534-0.01856872635950.900354849788-0.2086370580740.9263119249890.0162329102894-0.0790632257429-0.07467432052230.0414063110989-0.0965971697322-0.01816532609530.2888231727220.114406994050.01982075004190.2851755274240.0908053613244-0.02993433241460.1651410802670.08345432039080.17808698269146.189383306421.205284119934.9419957542
760.5540221973360.0414644047774-0.0617347109260.887294269753-0.1522120864120.235076737394-0.07703485466310.2036674795650.0908132456455-0.5495773759170.08797737494180.161395159430.26678920869-0.0913978880504-0.02592514154540.438739875734-0.064772899477-0.05619936508430.348784397572-0.003434645801450.27484233362329.58438954773.9749673883720.6090359264
770.3532594059250.263442806256-0.7397052195541.268820718860.1577586918162.17835575005-0.150926923390.2710397377980.0345862105143-0.532865450409-0.249999266532-0.37440996271-0.210560819283-0.04503342439020.2881121357581.11189730155-0.1109030692240.02118299742480.669487163776-0.0162780382640.54771013147429.527875373910.964753053-3.1860392396
780.741799390487-0.0417826697387-0.6907098051730.3105518160340.4205375784582.03808234557-0.01716419107140.185303190039-0.307101105924-0.0705540121696-0.0423161334261-0.0560268644730.4962165879040.03293495554730.02530565608740.4017594850350.1632979654320.1196566440960.271012406867-0.005790159734730.28390594074455.5966913675-6.9740586381522.9426527488
790.471923003717-0.422795601250.2270234719180.403022335384-0.1957234002760.132599911746-0.1281221260890.03110617276110.0968445339980.0174113871282-0.1932516498250.0518343607654-0.4116084016320.07156793082750.2758605134651.40528951505-0.08467046740490.2590326465951.04991059079-0.2438076005171.2110667175548.138843778913.722515000967.8472538333
800.488452454686-0.385616331024-0.2634515488120.4152546776720.2664233644380.173095371395-0.08402540579490.601741091692-0.451030827001-0.2372630231640.102118188102-0.01737627103750.152409205607-0.1217158354660.01410472662581.26472346109-0.0345421459191-0.3323204730841.93388622227-0.3312886449581.4840943109258.566152476719.696127091574.7966707685
811.61528733119-0.221429760499-0.006264637035952.12468604001-0.1345262805611.83514759258-0.19147655186-0.3410412367590.2594671046960.0604497749375-0.31030873136-0.150605165821-0.3237613400920.4671639735730.462137763830.376242346006-0.03985070204250.04086769313390.6361727423290.044383607310.52524251562153.120081567415.551550416759.4509363006
821.48570699290.43709828806-0.3210220229061.04121520288-0.5419776527281.60733676641-0.0836173978057-0.400927515909-0.2130064306730.188965998447-0.273557076461-0.368625874067-0.08047957501520.6516587914670.2535717427210.383405907232-0.01554407669590.2394229705950.5683551694750.3041376219660.43812133562645.94982728640.051536780890152.5071155629
831.46763674778-0.151349779431-0.7551305844710.8953423312750.246815435270.595670940650.2113892644520.105045543063-0.315867909238-0.189695594687-0.1522791341960.1366737214380.123783132188-0.08090733816310.06496631147240.2582859277250.1804607410380.1179210718190.346549856980.03439289190840.2270672872157.7309915302-0.49953875119921.3897670891
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'I' and (resid 459 through 509 )
2X-RAY DIFFRACTION2chain 'J' and (resid 26 through 62 )
3X-RAY DIFFRACTION3chain 'J' and (resid 63 through 73 )
4X-RAY DIFFRACTION4chain 'J' and (resid 74 through 97 )
5X-RAY DIFFRACTION5chain 'K' and (resid 137 through 180 )
6X-RAY DIFFRACTION6chain 'K' and (resid 181 through 217 )
7X-RAY DIFFRACTION7chain 'K' and (resid 218 through 253 )
8X-RAY DIFFRACTION8chain 'K' and (resid 254 through 302 )
9X-RAY DIFFRACTION9chain 'K' and (resid 303 through 331 )
10X-RAY DIFFRACTION10chain 'K' and (resid 332 through 384 )
11X-RAY DIFFRACTION11chain 'K' and (resid 385 through 403 )
12X-RAY DIFFRACTION12chain 'K' and (resid 404 through 473 )
13X-RAY DIFFRACTION13chain 'K' and (resid 474 through 491 )
14X-RAY DIFFRACTION14chain 'K' and (resid 492 through 509 )
15X-RAY DIFFRACTION15chain 'M' and (resid 2 through 17 )
16X-RAY DIFFRACTION16chain 'M' and (resid 18 through 51 )
17X-RAY DIFFRACTION17chain 'M' and (resid 52 through 64 )
18X-RAY DIFFRACTION18chain 'M' and (resid 65 through 119 )
19X-RAY DIFFRACTION19chain 'M' and (resid 120 through 134 )
20X-RAY DIFFRACTION20chain 'M' and (resid 135 through 167 )
21X-RAY DIFFRACTION21chain 'M' and (resid 168 through 185 )
22X-RAY DIFFRACTION22chain 'M' and (resid 186 through 203 )
23X-RAY DIFFRACTION23chain 'M' and (resid 204 through 223 )
24X-RAY DIFFRACTION24chain 'H' and (resid 2 through 17 )
25X-RAY DIFFRACTION25chain 'H' and (resid 18 through 51 )
26X-RAY DIFFRACTION26chain 'H' and (resid 52 through 64 )
27X-RAY DIFFRACTION27chain 'H' and (resid 65 through 83 )
28X-RAY DIFFRACTION28chain 'H' and (resid 84 through 119 )
29X-RAY DIFFRACTION29chain 'H' and (resid 120 through 134 )
30X-RAY DIFFRACTION30chain 'H' and (resid 135 through 167 )
31X-RAY DIFFRACTION31chain 'H' and (resid 168 through 185 )
32X-RAY DIFFRACTION32chain 'H' and (resid 186 through 203 )
33X-RAY DIFFRACTION33chain 'H' and (resid 204 through 223 )
34X-RAY DIFFRACTION34chain 'D' and (resid 2 through 17 )
35X-RAY DIFFRACTION35chain 'D' and (resid 18 through 51 )
36X-RAY DIFFRACTION36chain 'D' and (resid 52 through 64 )
37X-RAY DIFFRACTION37chain 'D' and (resid 65 through 83 )
38X-RAY DIFFRACTION38chain 'D' and (resid 84 through 119 )
39X-RAY DIFFRACTION39chain 'D' and (resid 120 through 134 )
40X-RAY DIFFRACTION40chain 'D' and (resid 135 through 155 )
41X-RAY DIFFRACTION41chain 'D' and (resid 156 through 167 )
42X-RAY DIFFRACTION42chain 'D' and (resid 168 through 185 )
43X-RAY DIFFRACTION43chain 'D' and (resid 186 through 203 )
44X-RAY DIFFRACTION44chain 'D' and (resid 204 through 223 )
45X-RAY DIFFRACTION45chain 'L' and (resid 2 through 19 )
46X-RAY DIFFRACTION46chain 'L' and (resid 20 through 62 )
47X-RAY DIFFRACTION47chain 'L' and (resid 63 through 76 )
48X-RAY DIFFRACTION48chain 'L' and (resid 77 through 103 )
49X-RAY DIFFRACTION49chain 'L' and (resid 104 through 118 )
50X-RAY DIFFRACTION50chain 'L' and (resid 119 through 133 )
51X-RAY DIFFRACTION51chain 'L' and (resid 134 through 217 )
52X-RAY DIFFRACTION52chain 'E' and (resid 2 through 19 )
53X-RAY DIFFRACTION53chain 'E' and (resid 20 through 62 )
54X-RAY DIFFRACTION54chain 'E' and (resid 63 through 76 )
55X-RAY DIFFRACTION55chain 'E' and (resid 77 through 91 )
56X-RAY DIFFRACTION56chain 'E' and (resid 92 through 103 )
57X-RAY DIFFRACTION57chain 'E' and (resid 104 through 118 )
58X-RAY DIFFRACTION58chain 'E' and (resid 119 through 155 )
59X-RAY DIFFRACTION59chain 'E' and (resid 156 through 177 )
60X-RAY DIFFRACTION60chain 'E' and (resid 178 through 217 )
61X-RAY DIFFRACTION61chain 'G' and (resid 2 through 14 )
62X-RAY DIFFRACTION62chain 'G' and (resid 15 through 62 )
63X-RAY DIFFRACTION63chain 'G' and (resid 63 through 76 )
64X-RAY DIFFRACTION64chain 'G' and (resid 77 through 103 )
65X-RAY DIFFRACTION65chain 'G' and (resid 104 through 118 )
66X-RAY DIFFRACTION66chain 'G' and (resid 119 through 155 )
67X-RAY DIFFRACTION67chain 'G' and (resid 156 through 177 )
68X-RAY DIFFRACTION68chain 'G' and (resid 178 through 192 )
69X-RAY DIFFRACTION69chain 'G' and (resid 193 through 217 )
70X-RAY DIFFRACTION70chain 'A' and (resid 26 through 67 )
71X-RAY DIFFRACTION71chain 'A' and (resid 68 through 73 )
72X-RAY DIFFRACTION72chain 'A' and (resid 74 through 97 )
73X-RAY DIFFRACTION73chain 'B' and (resid 137 through 190 )
74X-RAY DIFFRACTION74chain 'B' and (resid 191 through 217 )
75X-RAY DIFFRACTION75chain 'B' and (resid 218 through 367 )
76X-RAY DIFFRACTION76chain 'B' and (resid 368 through 473 )
77X-RAY DIFFRACTION77chain 'B' and (resid 474 through 509 )
78X-RAY DIFFRACTION78chain 'C' and (resid 26 through 62 )
79X-RAY DIFFRACTION79chain 'C' and (resid 63 through 67 )
80X-RAY DIFFRACTION80chain 'C' and (resid 68 through 73 )
81X-RAY DIFFRACTION81chain 'C' and (resid 74 through 97 )
82X-RAY DIFFRACTION82chain 'I' and (resid 137 through 217 )
83X-RAY DIFFRACTION83chain 'I' and (resid 218 through 458 )

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