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- PDB-7qnw: The receptor binding domain of SARS-CoV-2 Omicron variant spike g... -

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Basic information

Entry
Database: PDB / ID: 7qnw
TitleThe receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs
Components
  • Beta-55 heavy chain
  • Beta-55 light chain
  • EY6A heavy chain
  • EY6A light chain
  • Surface glycoprotein
KeywordsVIRAL PROTEIN / SARS-CoV-2 / beta variant / Omicron variant / B.1.351 / B.1.1.529 / antibody / RBD / spike / neutralisation / VIRAL PROTEIN/IMMUNE SYSTEM
Function / homology
Function and homology information


Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
ACETATE ION / Surface glycoprotein
Similarity search - Component
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.I.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 United Kingdom
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 United Kingdom
Citation
Journal: Cell / Year: 2022
Title: SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Authors: Dejnirattisai, W. / Huo, J. / Zhou, D. / Zahradnik, J. / Supasa, P. / Liu, C. / Duyvesteyn, H.M.E. / Ginn, H.M. / Mentzer, A.J. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Dijokaite, A. / ...Authors: Dejnirattisai, W. / Huo, J. / Zhou, D. / Zahradnik, J. / Supasa, P. / Liu, C. / Duyvesteyn, H.M.E. / Ginn, H.M. / Mentzer, A.J. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Dijokaite, A. / Khan, S. / Avinoam, O. / Bahar, M. / Skelly, D. / Adele, S. / Johnson, S.A. / Amini, A. / Ritter, T.G. / Mason, C. / Dold, C. / Pan, D. / Assadi, S. / Bellass, A. / Omo-Dare, N. / Koeckerling, D. / Flaxman, A. / Jenkin, D. / Aley, P.K. / Voysey, M. / Costa Clemens, S.A. / Naveca, F.G. / Nascimento, V. / Nascimento, F. / Fernandes da Costa, C. / Resende, P.C. / Pauvolid-Correa, A. / Siqueira, M.M. / Baillie, V. / Serafin, N. / Kwatra, G. / Da Silva, K. / Madhi, S.A. / Nunes, M.C. / Malik, T. / Openshaw, P.J.M. / Baillie, J.K. / Semple, M.G. / Townsend, A.R. / Huang, K.A. / Tan, T.K. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Constantinides, B. / Webster, H. / Crook, D. / Pollard, A.J. / Lambe, T. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Schreiber, G. / Stuart, D.I. / Screaton, G.R.
#1: Journal: Biorxiv / Year: 2021
Title: Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Authors: Dejnirattisai, W. / Huo, J. / Zhou, D. / Zahradnik, J. / Supasa, P. / Liu, C. / Duyvesteyn, H.M.E. / Ginn, H.M. / Mentzer, A.J. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Dijokaite, A. / ...Authors: Dejnirattisai, W. / Huo, J. / Zhou, D. / Zahradnik, J. / Supasa, P. / Liu, C. / Duyvesteyn, H.M.E. / Ginn, H.M. / Mentzer, A.J. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Dijokaite, A. / Khan, S. / Avinoam, O. / Bahar, M. / Skelly, D. / Adele, S. / Johnson, S.A. / Amini, A. / Ritter, T. / Mason, C. / Dold, C. / Pan, D. / Assadi, S. / Bellass, A. / Omo-Dare, N. / Koeckerling, D. / Flaxman, A. / Jenkin, D. / Aley, P.K. / Voysey, M. / Costa Clemens, S.A. / Naveca, F.G. / Nascimento, V. / Nascimento, F. / Fernandes da Costa, C. / Resende, P.C. / Pauvolid-Correa, A. / Siqueira, M.M. / Baillie, V. / Serafin, N. / Ditse, Z. / Silva, K.D. / Madhi, S. / Nunes, M.C. / Malik, T. / Openshaw, P.J. / Baillie, J.K. / Semple, M.G. / Townsend, A.R. / Huang, K.A. / Tan, T.K. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Constantinides, B. / Webster, H. / Crook, D. / Pollard, A.J. / Lambe, T. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Schreiber, G. / Stuart, D.I. / Screaton, G.R.
#2: Journal: Biorxiv / Year: 2021
Title: Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Authors: Dejnirattisai, W. / Huo, J. / Zhou, D. / Zahradnik, J. / Supasa, P. / Liu, C. / Duyvesteyn, H.M.E. / Ginn, H.M. / Mentzer, A.J. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Dijokaite, A. / ...Authors: Dejnirattisai, W. / Huo, J. / Zhou, D. / Zahradnik, J. / Supasa, P. / Liu, C. / Duyvesteyn, H.M.E. / Ginn, H.M. / Mentzer, A.J. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Dijokaite, A. / Khan, S. / Avinoam, O. / Bahar, M. / Skelly, D. / Adele, S. / Johnson, S.A. / Amini, A. / Ritter, T. / Mason, C. / Dold, C. / Pan, D. / Assadi, S. / Bellass, A. / Omo-Dare, N. / Koeckerling, D. / Flaxman, A. / Jenkin, D. / Aley, P.K. / Voysey, M. / Costa Clemens, S.A. / Naveca, F.G. / Nascimento, V. / Nascimento, F. / Fernandes da Costa, C. / Resende, P.C. / Pauvolid-Correa, A. / Siqueira, M.M. / Baillie, V. / Serafin, N. / Ditse, Z. / Silva, K.D. / Madhi, S. / Nunes, M.C. / Malik, T. / Openshaw, P.J. / Baillie, J.K. / Semple, M.G. / Townsend, A.R. / Huang, K.A. / Tan, T.K. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Constantinides, B. / Webster, H. / Crook, D. / Pollard, A.J. / Lambe, T. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Schreiber, G. / Stuart, D.I. / Screaton, G.R.
#3: Journal: Cell(Cambridge,Mass.) / Year: 2022
Title: SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses
Authors: Dejnirattisai, W. / Huo, J. / Zhou, D. / Zahradnik, J. / Supasa, P. / Liu, C. / Duyvesteyn, H.M. / Ginn, H.M. / Mentzer, A.J. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Dijokaite, A. / ...Authors: Dejnirattisai, W. / Huo, J. / Zhou, D. / Zahradnik, J. / Supasa, P. / Liu, C. / Duyvesteyn, H.M. / Ginn, H.M. / Mentzer, A.J. / Tuekprakhon, A. / Nutalai, R. / Wang, B. / Dijokaite, A. / Khan, S. / Avinoam, O. / Bahar, M. / Skelly, D. / Adele, S. / Johnson, S.A. / Amini, A. / Ritter, T. / Mason, C. / Dold, C. / Pan, D. / Assadi, S. / Bellass, A. / Omo-Dare, N. / Koeckerling, D. / Flaxman, A. / Jenkin, D. / Aley, P.K. / Voysey, M. / Naveca, F.G. / Nascimento, V. / Nascimento, F. / Resende, P.C. / Pauvolid-Correa, A. / Siqueira, M.M. / Baillie, V. / Serafin, N. / Kwatra, G. / Madhi, S.A. / Nunes, M.C. / Malik, T. / Openshaw, P.J. / Baillie, J.K. / Semple, M.G. / Townsend, A.R. / Huang, K.Y.A. / Tan, T.K. / Carroll, M.W. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Constantinides, B. / Webster, H. / Crook, D. / Pollard, A.J. / Lambe, T. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Fry, E.E. / Mongkolsapaya, J. / Ren, J. / Schreiber, G. / Stuart, D.I. / Screaton, G.R.
History
DepositionDec 23, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jan 19, 2022Provider: repository / Type: Initial release
Revision 1.1Feb 2, 2022Group: Database references / Category: citation / citation_author
Revision 1.2Oct 26, 2022Group: Database references / Category: citation / citation_author
Revision 1.3Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.4Nov 6, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
H: EY6A heavy chain
L: EY6A light chain
E: Surface glycoprotein
A: Beta-55 heavy chain
B: Beta-55 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)120,61318
Polymers119,2065
Non-polymers1,40713
Water1,838102
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)131.966, 131.966, 117.338
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number154
Space group name H-MP3221
Space group name HallP322"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+2/3
#3: -x+y,-x,z+1/3
#4: x-y,-y,-z+1/3
#5: -x,-x+y,-z+2/3
#6: y,x,-z
Components on special symmetry positions
IDModelComponents
11E-802-

ACT

21E-802-

ACT

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Components

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Antibody , 4 types, 4 molecules HLAB

#1: Antibody EY6A heavy chain


Mass: 24346.273 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#2: Antibody EY6A light chain


Mass: 23315.855 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody Beta-55 heavy chain


Mass: 24895.922 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#5: Antibody Beta-55 light chain


Mass: 23491.174 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Protein / Sugars , 2 types, 2 molecules E

#3: Protein Surface glycoprotein


Mass: 23157.164 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Production host: Homo sapiens (human) / References: UniProt: A0A7U3CI26
#6: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE

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Non-polymers , 4 types, 114 molecules

#7: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: C3H8O3
#8: Chemical ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H3O2
#9: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 102 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.47 Å3/Da / Density % sol: 50.29 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.2 M (NH4)2COOH, 0.1 M Hepes, pH 7.5 and 25% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Dec 15, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9763 Å / Relative weight: 1
ReflectionResolution: 2.4→117 Å / Num. obs: 46542 / % possible obs: 100 % / Redundancy: 41.1 % / Biso Wilson estimate: 53.59 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.339 / Rpim(I) all: 0.053 / Net I/σ(I): 8.5
Reflection shellResolution: 2.4→2.44 Å / Mean I/σ(I) obs: 0.7 / Num. unique obs: 2302 / CC1/2: 0.319 / Rpim(I) all: 0.458

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Processing

Software
NameVersionClassification
GDA1.19_4092data collection
PHENIX1.19_4092refinement
xia2data reduction
xia2data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7NX8

7nx8


Resolution: 2.4→114.29 Å / SU ML: 0.3726 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 26.4309
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2474 2278 4.9 %
Rwork0.2056 44202 -
obs0.2077 46480 99.94 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 65.14 Å2
Refinement stepCycle: LAST / Resolution: 2.4→114.29 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8133 0 91 102 8326
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0028412
X-RAY DIFFRACTIONf_angle_d0.491711433
X-RAY DIFFRACTIONf_chiral_restr0.04241273
X-RAY DIFFRACTIONf_plane_restr0.00421451
X-RAY DIFFRACTIONf_dihedral_angle_d11.26622999
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.450.37281390.34072718X-RAY DIFFRACTION99.69
2.45-2.510.34741200.3232735X-RAY DIFFRACTION99.83
2.51-2.570.32881190.31352744X-RAY DIFFRACTION99.83
2.57-2.640.37321220.30882789X-RAY DIFFRACTION100
2.64-2.720.34591440.28652709X-RAY DIFFRACTION100
2.72-2.810.32691370.27652762X-RAY DIFFRACTION99.9
2.81-2.910.27861190.24922720X-RAY DIFFRACTION99.89
2.91-3.020.28821570.24742747X-RAY DIFFRACTION99.97
3.02-3.160.29051540.22792742X-RAY DIFFRACTION99.97
3.16-3.330.28281710.21942731X-RAY DIFFRACTION100
3.33-3.540.27021350.21292767X-RAY DIFFRACTION100
3.54-3.810.23761300.19362769X-RAY DIFFRACTION100
3.81-4.190.2331280.18072794X-RAY DIFFRACTION100
4.19-4.80.20331760.15452754X-RAY DIFFRACTION100
4.8-6.040.21811410.17062827X-RAY DIFFRACTION100
6.05-114.290.20081860.17752894X-RAY DIFFRACTION100
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)
15.23028988131-0.6673951188150.4300604640283.678970502430.6310230633774.09553102898-0.003423447762950.1582126150970.269890867165-0.5190440824380.06656210383570.201185175219-0.0741543460662-0.0914968098085-0.1137113919970.5032640211610.0949743377295-0.01008107511150.370508366770.03921322133730.465341308724-62.899260405916.9072680645-16.3878482086
23.943156851251.60024544566-0.8778035158516.461012969781.396420748126.524909107820.2771578947930.221075369381-0.00729237564088-0.715006106262-0.4187559728280.673652080767-0.332445910863-0.8972404726310.07552234187520.5220381165470.234275401727-0.15743946920.592161796563-0.1483472377940.567419885589-75.9586805731-14.7579313214-23.7908616774
33.603516223913.45214542907-0.7962618398679.66526323212-2.878549301851.904219175610.1355906537090.114286721591-0.4967281668850.0788272942395-0.283192528691-0.9290870776170.03618639380360.06931679545910.1233587356520.3782905004450.00100405231601-0.1000883113460.438969691473-0.01110534997150.524838463329-53.3295975713-2.23179560407-0.19379791445
42.531051372971.53247922763-0.7124525377834.95321311547-0.8458266800514.103241847720.105124803694-0.2986062259090.1961104851410.33825931156-0.29376430135-0.0299734289484-0.291080324111-0.02277243784040.1739485921120.4288398755690.0688092951725-0.007099049059820.415818473966-0.02612490371930.415273636298-55.8272310747.380777655542.01922524475
51.322026026223.09852177306-0.472062302754.38195553803-0.7463539316420.9890205405010.282477004123-0.059955808531-0.1174566785640.362436932877-0.29032804563-0.00519989177583-0.104487121472-0.0489131640277-0.05038321908870.4601887342250.09109896730860.04183551973260.5162253271490.01995134044660.634900113356-58.3734010709-0.697886227929-2.17586475428
63.54991047343-0.5304891192740.5729131627324.681023982951.861702015336.836691482540.09929399270690.422452092056-0.423916519242-0.761355562858-0.4971311914620.270318804062-0.45856433399-0.614698459210.307440385820.430439090690.147354715266-0.04277722728720.45572990103-0.07292093895720.599512716295-66.4449229044-21.9832882621-22.2827249043
73.21891723924-0.956082176792-1.512685938493.29967028630.4803824229157.10631937290.271345948189-0.171838940878-0.247844166033-0.372063361778-0.252397879697-0.18056849123-0.774573361516-0.2529200905210.06183686115210.3476194446970.0512276093984-0.05154967490350.4748012316480.06724181660690.773687224845-60.0555205941-19.0460752793-17.354741338
81.7664162841-0.814504794725-0.01982397641354.469033754994.663256987159.388512183240.0936878958680.125343724812-0.0774901124966-0.296162422218-0.1167014503650.07900674496430.3840427619690.6280181731040.08053517989350.5254296535930.132997509520.00451626374820.540660373304-0.01090291747070.668310038559-59.4821558549-26.8551029606-24.842204492
92.19559480105-0.956350470691.697510116334.88808774007-2.460553285432.088701605680.0788841949218-0.08269971467750.7524298018290.68743827571-0.157743195850.330602892618-0.924124507153-0.2687382376760.0581020363270.93272361102-0.0417044135164-0.002370837560810.462411175689-0.1630230564760.784810908057-35.657901181237.2911174518-12.9882812479
106.778413974960.566975213541-4.932441168547.23565025433-4.157104751576.07525509560.392125334961-0.2198380378960.8550508464511.07308236389-0.196549691930.24366312939-1.692182993340.153438835572-0.2317750549740.721859986740.0490153766064-0.04774726298290.565904544063-0.100441136310.876503334649-47.86553101729.3967653743-11.4196204828
114.27591380724-0.6878631758070.6413847333361.06892182206-0.9108517510374.140923450690.0850198254702-0.1374105641690.1551695723360.3646895327890.0187847666169-0.131655077713-0.3939228867640.491044540451-0.1001629916320.485003208159-0.0828228150073-0.004160919750550.320025058731-0.0649675054410.443296840899-26.835229237821.7188821021-13.8466763466
121.53201273886-0.0736248485976-0.4988236253414.022578980210.9171960606725.429362093840.0365745364713-0.1330147375860.07424424922560.301282250725-0.174614422132-0.388975701632-0.2676477488440.5296125422450.05840160128280.469116404457-0.1182669079860.004181874176860.3430364531390.04410744461370.521264279822-25.090960324622.6158170775-18.5740942103
132.20145366999-0.167470581595-1.002630191321.06684708209-1.689481057468.206808558780.08230837945460.6281091985520.59527161816-0.1363909359880.2645601599761.00424686339-0.2818050307920.0353091004989-0.4163076963990.3746408464120.0176825146458-0.01371572836510.4223141089040.05976310777940.543779807704-34.659187401129.4152497943-59.4427616468
142.5067242886-0.733754775524-0.515189733053.155204952791.056495544756.81667795847-0.0887645056785-0.1598389244130.15813463364-0.0606272761020.07522040616650.218904249398-0.35219549876-0.08587837075030.0425581293260.456398934584-0.03688440051910.01679880751610.2879220299740.01524163457790.53862788517-32.41416541827.4790488352-48.622337348
151.09844626315-0.02354766878480.16413695640.128186414947-0.6493177528495.868316546450.06041689553730.109835004195-0.102374787394-0.15479451925-0.00470765949576-0.1159304485290.3178933409910.0082463881260.03044918122760.4727112783770.04567783620580.01045363827080.294046108004-0.006889539553530.541557881076-31.765430050720.325064796-61.275289676
165.319761533972.073180709810.5119962366485.280663169091.275803564764.42524859894-0.03497313029760.2779770988530.276767263695-0.13055051151-0.02267277930810.259899464322-0.297565142983-0.05842924175050.04992075035080.442594722077-0.01732047527720.04054360829030.3626714096370.06840476194220.3835616419-39.092023540617.2946300781-80.6086056757
173.802170207230.6090769058961.935940430719.724024214256.767361054498.99519827940.10791505333-0.08228032292830.34022746928-0.0475450314705-0.0294752530215-0.1110723533170.07893459291760.261268659187-0.348322696370.4084438876350.05674887459650.03540017737170.3795490959040.02011572421780.480131903709-18.39287534052.65860401093-54.4389048394
183.23595813084-0.9652933208781.419357424726.03998529065-0.06855629307625.06331747298-0.00369844156589-0.113607974912-0.179956647612-0.353237393424-0.1030921952020.3074930596910.0282202537978-0.3754820264460.0664949676550.306300756438-0.0005631455553740.01184789782290.3057570056540.016385695340.476102183863-28.6572100197.1960964764-48.418009417
197.848237822776.193435974886.048613090964.894104506814.861252645014.812685152140.1008499356010.100574681239-0.131339006670.1090931431040.180029667118-0.8509816109110.8902398318170.962481974426-0.2760217286980.5618428413660.08120127712110.01928506736490.5131746879870.03274112550110.78120119482-21.83839212690.802153646162-46.5781690348
200.156805950253-1.09695069099-0.5369697042137.514044890994.793527005257.638095549770.423187740801-0.113606202014-0.149956397406-0.3594713775110.0987861416817-0.773298123438-0.2404477017180.222751727847-0.4062801877860.3419774079980.0555371378408-0.008052029067360.456066315709-0.0151091825390.505325414375-24.11891720169.04093185383-52.7754185481
211.147906352080.7385528340080.1575963963132.01981211882-0.9630896941538.186893095620.3073413472290.208994212538-0.000154644750834-0.5409394583450.0104209906680.2226779632350.7837078845980.310352437495-0.2924409960950.351695481120.05485851322720.03049522182130.38643347903-0.03839353021580.449036213583-30.03531999559.61486361871-84.1525455856
224.124721532770.3223746058-0.8724064220634.84407765933-2.721780354618.353049425740.4076972811630.7013547146790.2554079877360.03060461504180.0699682637389-0.208170505231-0.159155972840.681488369406-0.4746549684370.4222562474550.06172245999-0.01061053878430.516650021369-0.1025193408170.46856730963-23.90239188877.12359633274-82.1041554533
233.87559266982-1.34233023985-0.01928256791294.744661724-3.09250469049.241652176750.3134316467120.6035462891240.00715617970683-0.654533714392-0.196379932040.2650313239840.3536404305681.14501218458-0.1153630718010.6969646440490.0705682656754-0.01831317419560.712377989528-0.05011287359830.425723067809-25.192938854310.7642013967-94.636590946
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'H' and (resid 1 through 119 )HA1 - 1191 - 119
22chain 'H' and (resid 120 through 221 )HA120 - 221120 - 215
33chain 'L' and (resid 1 through 18 )LC1 - 181 - 18
44chain 'L' and (resid 19 through 75 )LC19 - 7519 - 75
55chain 'L' and (resid 76 through 114 )LC76 - 11476 - 114
66chain 'L' and (resid 115 through 144 )LC115 - 144115 - 144
77chain 'L' and (resid 145 through 175 )LC145 - 175145 - 175
88chain 'L' and (resid 176 through 212 )LC176 - 212176 - 212
99chain 'E' and (resid 333 through 364 )EF333 - 3641 - 32
1010chain 'E' and (resid 365 through 394 )EF365 - 39433 - 62
1111chain 'E' and (resid 395 through 479 )EF395 - 47963 - 147
1212chain 'E' and (resid 480 through 527 )EF480 - 527148 - 188
1313chain 'A' and (resid 1 through 17 )AK1 - 171 - 17
1414chain 'A' and (resid 18 through 84 )AK18 - 8418 - 84
1515chain 'A' and (resid 85 through 148 )AK85 - 14885 - 148
1616chain 'A' and (resid 149 through 228 )AK149 - 228149 - 228
1717chain 'B' and (resid 1 through 25 )BQ1 - 251 - 25
1818chain 'B' and (resid 26 through 61 )BQ26 - 6126 - 61
1919chain 'B' and (resid 62 through 75 )BQ62 - 7562 - 75
2020chain 'B' and (resid 76 through 102 )BQ76 - 10276 - 102
2121chain 'B' and (resid 103 through 138 )BQ103 - 138103 - 138
2222chain 'B' and (resid 139 through 175 )BQ139 - 175139 - 175
2323chain 'B' and (resid 176 through 214 )BQ176 - 214176 - 214

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