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- PDB-7qnx: The receptor binding domain of SARS-CoV-2 spike glycoprotein in c... -

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Basic information

Entry
Database: PDB / ID: 7qnx
TitleThe receptor binding domain of SARS-CoV-2 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 / homologyImmunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / Surface glycoprotein
Function and homology information
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.92 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 20, 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
A: Beta-55 heavy chain
B: Beta-55 light chain
E: Surface glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)119,3376
Polymers118,9135
Non-polymers4241
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)131.772, 131.772, 116.837
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

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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)
#3: 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)
#4: 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

#5: Protein Surface glycoprotein


Mass: 22863.623 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: A0A894R379
#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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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: 2.46 Å3/Da / Density % sol: 50.05 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.2 M NaCl, 0.1 M Tris, pH 6.7 and 30% (w/v) PEG 3000

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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: 2.92→82 Å / Num. obs: 25801 / % possible obs: 99.9 % / Redundancy: 20.5 % / Biso Wilson estimate: 69.2 Å2 / CC1/2: 0.986 / Rmerge(I) obs: 0.554 / Rpim(I) all: 0.125 / Net I/σ(I): 3.8
Reflection shellResolution: 2.92→2.97 Å / Mean I/σ(I) obs: 0.5 / Num. unique obs: 1228 / CC1/2: 0.311 / Rpim(I) all: 0.902

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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: 2.92→81.64 Å / SU ML: 0.6181 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 30.7349
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2663 1236 4.8 %
Rwork0.2286 24493 -
obs0.2304 25729 99.65 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 74.98 Å2
Refinement stepCycle: LAST / Resolution: 2.92→81.64 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8097 0 28 0 8125
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00178326
X-RAY DIFFRACTIONf_angle_d0.476711334
X-RAY DIFFRACTIONf_chiral_restr0.04161268
X-RAY DIFFRACTIONf_plane_restr0.00421445
X-RAY DIFFRACTIONf_dihedral_angle_d10.92212966
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.92-3.040.39931310.37732621X-RAY DIFFRACTION97.18
3.04-3.180.42461410.35012671X-RAY DIFFRACTION100
3.18-3.340.3791200.31072717X-RAY DIFFRACTION99.89
3.34-3.550.32771530.28442701X-RAY DIFFRACTION99.89
3.55-3.830.25871300.24872708X-RAY DIFFRACTION100
3.83-4.210.25331310.22652724X-RAY DIFFRACTION99.96
4.21-4.820.20391630.1812702X-RAY DIFFRACTION100
4.82-6.080.24651250.18632782X-RAY DIFFRACTION100
6.08-81.640.22481420.17982867X-RAY DIFFRACTION99.87
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)
14.954813048861.608204177060.02650595309144.129105384850.241071108072.52095560942-0.001303611644020.455359093741-0.225177509172-0.1744028518420.2402225181280.6047995176680.521823953632-0.0410414308251-0.165265773090.52991559474-0.00379305618471-0.02522158761470.559544371467-0.0285077842430.629154389859-46.2601455529-50.154101325222.3846217697
24.143137263782.024132190480.4047005013053.55123374026-1.141938112371.38782533934-0.03746734222770.1480160726390.810328329644-0.5600078873470.02197350461380.6720761702790.00418387165628-0.131111983122-0.1056909888430.7494603124630.0867091420862-0.02665669511310.7807277665090.007995021279180.602378758732-48.4659656799-41.504511835620.6902246757
33.698979691611.666736068641.072923883284.488022591180.4645233030922.181384157130.4247839168080.338876498035-0.0443155212419-0.1493688481220.067268255820.0306514597158-0.127855426976-0.224474911557-0.2057563718880.4650731360550.01938502119660.06320742290310.6706261127950.01643273387780.678988458924-42.051299158-46.707204011725.101382616
40.288885352317-1.20284478621-0.3097725808816.22695396826-0.6103650169814.23850566672-0.05172664107460.443420071602-0.306726928375-0.165684865977-0.014034176021-0.07668264254590.182698585386-0.3484176984910.1761997402040.580821300629-0.1344304997010.03161768600870.896207242188-0.1345288901370.846331126825-25.5010461357-71.109314217213.307201114
54.53583697731-2.97463990127-0.6819049752553.076081495781.544463304632.63693202107-0.296517538237-0.21165749847-0.2520310434650.1566015058050.340817708382-0.1857679670540.6330729514970.035626719597-0.2881579039210.746475192351-0.04566091116250.08396268267420.640816568006-0.047388393930.855548945272-21.606532004-73.64368834519.5295250012
62.00916851885-0.2013750594560.9036496311996.24746692254-0.8886903645865.64647683430.3655822746730.43866611434-1.6729028524-0.160582236380.4824574442951.810799612830.575757667977-0.989317877806-0.2423372401780.669106458495-0.1347896551250.01244317604330.923885299883-0.2881512854721.07641771907-29.4179272563-77.276148975912.2966913795
72.42252233079-0.316132439943-0.890577461062.39638277320.8225668910910.562284116769-0.106613285123-0.3471941498710.8544706441540.03077553716290.163935085617-0.4168416883220.1527843477260.172867000193-0.05925035387080.6167864507990.00536075120013-0.00687544442240.708284355364-0.0640007076860.596161848551-24.4096109192-47.525520664238.9787350398
81.37811446785-0.250872485676-0.6313247306040.575397802853-0.5580973161740.9219417440590.223361541953-0.0163694823311.11333027620.0817082610597-0.903180682197-0.4771095863510.1358183247030.228034448479-0.08381739391450.619963435271-0.0485551194708-0.06978865369640.5474144336810.1253777453310.844797992154-31.4594835613-40.848179730138.7285406064
92.71457651847-0.941219051062-0.5028799015150.8757714642440.3251424437072.78790179577-0.0477115226593-0.289372201888-0.7026831499370.1242380680060.004787890489580.332920996855-0.2047015184180.01739952090520.1084650407720.689036557661-0.002870555440990.0381197032030.648588283240.0203995740530.756675744405-35.6387156719-47.413624357642.7453434737
101.88387048346-1.362539957540.4155329296431.646767905920.9010741855821.424233898420.07105488726520.276651029437-0.3017823616470.001828589427570.03292777022780.338534323193-0.0829418607702-0.0950047065474-0.02782129320320.543935979568-0.07461080439620.02460958737180.5907308417840.07791357439130.724427918493-32.7650789454-46.856873208636.642935767
111.59629948631-1.41911912111-0.7531648413741.303851681910.746861888870.404067236296-0.3270184891210.0748360545309-0.04657555188730.8160390314230.787175360026-0.7055393653550.3091303073590.2981841926480.1491236290190.7312105184410.056813252835-0.01228154634530.642608531977-0.04533910505640.954664794907-16.7501329557-62.127266437537.8437559015
122.103425134930.407924840437-1.440139874211.34186477386-0.3788317275353.10010066473-0.2968865234990.724699451728-0.0985006363604-0.102366314810.0533240660088-0.00102648998995-0.164250828389-0.4198519855920.2002283275680.64952147028-0.08083631288650.06313511971230.737887070228-0.04068693551470.802433237337-12.3694729189-67.016237977617.0091096322
135.177264169840.909553596239-0.00574899857431.804103493940.1083042479134.875538969780.2093198532870.0317249357272-0.6409645141190.234168636141-0.166929034818-0.629257859715-0.193021846961-1.145965224070.2471108407530.58589015222-0.0851621502873-0.1269443300450.5382523853550.008016422568140.844302483382-15.3509226724-62.250656861623.1029423705
143.35818044844-0.9778315692911.708575097151.877345575621.738767845097.81200820221-0.2985940638451.12973237903-0.390534700076-0.282702340553-0.192761064024-0.257394862184-0.626373749388-0.216606403860.03104064662660.60068999399-0.03161450225440.1746139185020.613644856342-0.0348095713810.959550210364-9.39697906923-64.58949052526.25592393146
154.22619104902-0.0384170384968-1.925390739871.616825983581.686671832357.36375546167-0.374101702542-0.295317009437-0.576715245019-0.135682634717-0.137906182230.16518833424-0.3530054292850.808662796802-0.2019862131520.619662257922-0.09248836088340.03910205665370.849404540805-0.01565250173610.888183596557-3.52425916263-65.609053480920.4807331567
161.331464759931.428854728390.2862675647462.24170095498-0.533677476624.54710444159-0.0211316539847-0.489557922632-0.34512664093-0.1512722555720.5165849249350.5918341814330.339682784618-0.754259755498-0.5577687210330.5442829454690.0610710345736-0.06635207816760.600041053552-0.003341785878170.832087194191-42.6319952564-19.4431889407-13.8254816967
170.2181412868430.5504407859140.1879324706910.334473592164-0.4165608396543.921853923340.005162933134430.0342949152442-0.04360674559490.033627547251-0.00935362063999-0.288456434352-0.138077864612-0.00465855305971-0.03763308604330.4607913536680.0590500480438-0.005915585146450.614547326093-0.02489871422850.82713922696-36.0732670733-14.5214015981-16.3739702287
181.70385115195-2.04973720347-0.9211376837365.07933040076-0.09400852847393.770853276340.05427945711920.101865949570.0654521640916-0.1758600051950.048965227627-0.3210970384670.0732805594611-0.295855651195-0.0528745882640.538054142303-0.0255266110512-0.0168996458180.58699618910.01120097773520.599548270556-34.5323476934-25.0747908219-41.36282638
195.38090213847-2.17840925519-3.112519665643.321363552671.452088628916.40791612897-0.3534797300540.0120240249497-0.1679135724840.183357186648-0.0482925665503-0.03064165549350.3191941417520.7609670843290.3434774814810.5111494713380.00743533352679-0.06098228879180.6620983281540.08036680517430.794861367333-11.4330493634-14.6078554096-15.1467356882
203.87714795806-0.1805405131290.9609296504340.819867751428-0.3686085236162.430822188190.0171221702292-0.741088308261.02634304246-0.271308306113-0.430104453749-0.392175979778-0.73879285586-1.195807126170.1208618653050.5400864479810.09076699633850.06841349250620.63368153579-0.08909458936080.659071440547-19.4525527336-14.8224533212-6.12386307251
215.49979021536-0.3607666964170.366979090932.83323871744-0.9418212113053.91079962064-0.02002313557550.474071344295-0.9980203700450.38649997677-0.1786664561880.4625218217790.665061495117-0.543239845430.08869680687240.5224436535430.08032209990754.47068114111E-50.548073036153-0.1506481942880.820162803835-21.3189039888-25.6025922642-11.2882314896
222.52685210431.868377864250.6446509762333.772748162814.265794128159.151768896530.408855305484-0.8755136799210.7627728136961.04173891288E-5-0.916512900862-1.266337402910.520520834179-0.009168285943390.7811756269250.6529704628230.07446451777860.03396493935870.830687590123-0.06991641500020.595237311789-11.6266855552-18.7030676613-7.29398637688
232.928160313040.296717666381-0.4993894074470.04249942215550.5438314455393.86553832139-0.007732709198230.1775016799670.552768870176-0.04061425899350.416980976275-0.282410247962-0.251653870542-0.119832677459-0.3070805079680.5861658332270.000853235641704-0.06583360910850.6068962450310.06931949812380.925810475841-19.9050617875-16.4214073294-13.5772990059
24-0.0283945004401-0.0520844763273-0.1391327281110.05070822674770.3968391320521.2435888759-0.1443241269680.526841567739-0.107301695755-0.7113456813480.292522355228-0.379424612918-0.2491571660182.04975347853-0.08296946901680.5719437413980.0890912957718-0.01303568904831.05210090233-0.02132726782560.615723716236-10.7788226135-22.8084016762-31.3380488318
252.857830856750.05576592051851.475657706791.52184257973-0.23361471993.89632622219-0.1209012946230.185229193919-0.253083348976-0.3185282328110.457438768944-0.290790768119-0.220885748010.142949624172-0.2056102140380.668283913745-0.003810711067170.09161269200840.6128645258780.02414831172280.59299701519-24.0107190718-18.9349002246-49.0416479789
264.536879663810.2387717615050.3058270592631.321793449430.0963589689623.327383438380.04661137988940.5034431687810.1700668891170.2060662836410.1443370619410.139758889358-1.021383348280.168421750462-0.05313091600090.652755089339-0.04931666233950.05451480154290.58046797877-0.08712352820160.649183306873-22.9294411842-15.5472810101-49.0781548489
275.20144752950.3635216986731.83251427323.58784603342-1.248762061026.505608592140.032909776621.43257251973-1.17726436008-0.5583656197670.49015693521-0.317063882314-0.47901453321.19076184931-0.3840413189350.7507617883090.05540007976230.0245897149340.960521320848-0.02557418148830.609538584354-16.085879571-20.9169234179-54.8638969695
286.843584830310.827855438728-0.8622372102175.72453368846-1.229649167763.872684202960.3512698556250.4654252378950.34157752441-0.1013753327040.01017230060520.4290584119280.507464783069-0.56264926408-0.3540884776710.7121740816410.05181064216090.0744336291090.870485651985-0.1229783110010.882122246632-50.5881687378-15.709797328525.3181099605
293.07045751158-2.25092017316-2.326377055386.599623960972.971261482993.67092549109-1.345940488680.430460106855-0.5200547763290.5359457396370.2974299204110.0326052468680.396761606616-0.367750457080.3081051194810.6966531204050.04961807833090.1291674673270.511610350310.045529489890.815336408285-48.6930940657-27.236339119930.7521717692
302.43512081521.76850076432-0.09504113256841.420226098-0.9716375344072.08735445831-0.0421404797148-0.2246848614970.03980771324110.02471138552210.0592673403551-0.100216038238-0.125436868549-0.2518147243480.0108229626570.5694403166710.08972904271310.05435465783790.546343115904-0.1194639899890.606494710346-32.2171989434-12.542477328725.2524919685
313.239503401640.604145326464-1.680436674830.7802202637651.051179952721.93252342755-0.08072902440090.02047316654990.5612917909380.0849110667283-0.197363217136-0.529640703018-0.104817460682-0.2444279738990.2466635518750.643932521990.0440120315491-0.05568542740750.5165437528950.03107198111950.595264585423-30.6268882692-9.9319249375920.1329331719
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 44 )HA1 - 441 - 44
22chain 'H' and (resid 45 through 83 )HA45 - 8345 - 83
33chain 'H' and (resid 84 through 119 )HA84 - 11984 - 119
44chain 'H' and (resid 120 through 165 )HA120 - 165120 - 159
55chain 'H' and (resid 166 through 202 )HA166 - 202160 - 196
66chain 'H' and (resid 203 through 221 )HA203 - 221197 - 215
77chain 'L' and (resid 1 through 18 )LB1 - 181 - 18
88chain 'L' and (resid 19 through 38 )LB19 - 3819 - 38
99chain 'L' and (resid 39 through 75 )LB39 - 7539 - 75
1010chain 'L' and (resid 76 through 103 )LB76 - 10376 - 103
1111chain 'L' and (resid 104 through 114 )LB104 - 114104 - 114
1212chain 'L' and (resid 115 through 151 )LB115 - 151115 - 151
1313chain 'L' and (resid 152 through 175 )LB152 - 175152 - 175
1414chain 'L' and (resid 176 through 191 )LB176 - 191176 - 191
1515chain 'L' and (resid 192 through 212 )LB192 - 212192 - 212
1616chain 'A' and (resid 1 through 35 )AC1 - 351 - 35
1717chain 'A' and (resid 36 through 148 )AC36 - 14836 - 148
1818chain 'A' and (resid 149 through 228 )AC149 - 228149 - 228
1919chain 'B' and (resid 1 through 25 )BD1 - 251 - 25
2020chain 'B' and (resid 26 through 38 )BD26 - 3826 - 38
2121chain 'B' and (resid 39 through 61 )BD39 - 6139 - 61
2222chain 'B' and (resid 62 through 75 )BD62 - 7562 - 75
2323chain 'B' and (resid 76 through 102 )BD76 - 10276 - 102
2424chain 'B' and (resid 103 through 114 )BD103 - 114103 - 114
2525chain 'B' and (resid 115 through 151 )BD115 - 151115 - 151
2626chain 'B' and (resid 152 through 198 )BD152 - 198152 - 198
2727chain 'B' and (resid 199 through 214 )BD199 - 214199 - 214
2828chain 'E' and (resid 333 through 373 )EE333 - 3731 - 41
2929chain 'E' and (resid 374 through 394 )EE374 - 39442 - 62
3030chain 'E' and (resid 395 through 479 )EE395 - 47963 - 147
3131chain 'E' and (resid 480 through 517 )EE480 - 517148 - 185

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