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- PDB-6wj1: Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin -

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Basic information

Entry
Database: PDB / ID: 6wj1
TitleCrystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin
Components
  • (Hemagglutinin ...) x 2
  • Fab 54-4H03 heavy chain
  • Fab 54-4H03 light chain
KeywordsIMMUNE SYSTEM / Antibody / Influenza hemagglutinin
Function / homology
Function and homology information


viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / membrane => GO:0016020 / host cell surface receptor binding / apical plasma membrane / 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
Similarity search - Function
Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon ...Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon / Alpha-Beta Complex / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Hemagglutinin / Hemagglutinin / Hemagglutinin
Similarity search - Component
Biological speciesInfluenza A virus
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.503 Å
AuthorsWu, N.C. / Wilson, I.A.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R56 AI127371 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)K99 AI139445 United States
CitationJournal: Cell Host Microbe / Year: 2020
Title: Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Authors: Wu, N.C. / Andrews, S.F. / Raab, J.E. / O'Connell, S. / Schramm, C.A. / Ding, X. / Chambers, M.J. / Leung, K. / Wang, L. / Zhang, Y. / Mascola, J.R. / Douek, D.C. / Ledgerwood, J.E. / ...Authors: Wu, N.C. / Andrews, S.F. / Raab, J.E. / O'Connell, S. / Schramm, C.A. / Ding, X. / Chambers, M.J. / Leung, K. / Wang, L. / Zhang, Y. / Mascola, J.R. / Douek, D.C. / Ledgerwood, J.E. / McDermott, A.B. / Wilson, I.A.
History
DepositionApr 11, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 1, 2020Provider: repository / Type: Initial release
Revision 1.1Jul 15, 2020Group: Advisory / Database references / Derived calculations
Category: citation / citation_author ...citation / citation_author / pdbx_validate_close_contact / struct_conn
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_validate_close_contact / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Sep 23, 2020Group: Database references / Structure summary / Category: chem_comp / citation
Item: _chem_comp.pdbx_synonyms / _citation.journal_volume / _citation.page_first
Revision 2.2Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin HA1 chain
C: Hemagglutinin HA1 chain
E: Hemagglutinin HA1 chain
B: Hemagglutinin HA2 chain
D: Hemagglutinin HA2 chain
F: Hemagglutinin HA2 chain
H: Fab 54-4H03 heavy chain
L: Fab 54-4H03 light chain
J: Fab 54-4H03 heavy chain
K: Fab 54-4H03 light chain
G: Fab 54-4H03 heavy chain
I: Fab 54-4H03 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)322,23930
Polymers315,39112
Non-polymers6,84718
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area53390 Å2
ΔGint-190 kcal/mol
Surface area119270 Å2
Unit cell
Length a, b, c (Å)231.538, 259.211, 165.113
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221

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Components

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Hemagglutinin ... , 2 types, 6 molecules ACEBDF

#1: Protein Hemagglutinin HA1 chain


Mass: 36658.324 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Gene: HA / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: A0A3S7XTA4, UniProt: C3W5S1*PLUS
#2: Protein Hemagglutinin HA2 chain


Mass: 19992.076 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Gene: HA / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: A0A3S5H8L7, UniProt: C3W5S1*PLUS

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Antibody , 2 types, 6 molecules HJGLKI

#3: Antibody Fab 54-4H03 heavy chain


Mass: 24881.918 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster)
#4: Antibody Fab 54-4H03 light chain


Mass: 23598.088 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster)

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Sugars , 7 types, 18 molecules

#5: 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.: 3
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
#6: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3/a4-b1_b4-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#7: Polysaccharide alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#8: Polysaccharide alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 367.349 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
LFucpa1-6DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2/a6-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#9: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#10: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#11: 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.: 10
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

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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: 3.93 Å3/Da / Density % sol: 68.74 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 11% PEG 6000 and 0.1 M MES pH 5.6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0332 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 10, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 3.5→50 Å / Num. obs: 62420 / % possible obs: 99.8 % / Redundancy: 6 % / Rmerge(I) obs: 0.191 / Rpim(I) all: 0.084 / Rrim(I) all: 0.21 / Χ2: 0.861 / Net I/σ(I): 4.4 / Num. measured all: 374579
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
3.5-3.616.31.14356230.6780.4841.2450.47199.8
3.61-3.746.20.93556080.7210.4061.0230.56599.8
3.74-3.8960.71655950.780.3160.7860.57999.8
3.89-4.075.60.50456250.8920.2330.5570.54199.6
4.07-4.285.80.32656310.9470.1480.360.55100
4.28-4.555.80.23456550.9680.1060.2580.684100
4.55-4.96.40.1856630.9820.0770.1960.777100
4.9-5.46.20.15256820.9860.0660.1660.812100
5.4-6.175.60.13556860.9840.0620.1490.90599.7
6.17-7.786.20.10157360.990.0440.111.26399.9
7.78-505.90.05959160.9970.0260.0652.26999.7

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Processing

Software
NameVersionClassification
PHENIX1.16_3549refinement
HKL-2000data reduction
PDB_EXTRACT3.25data extraction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4M4Y

4m4y


Resolution: 3.503→47.217 Å / SU ML: 0.43 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 22.78 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2317 3149 5.05 %
Rwork0.1791 59210 -
obs0.1817 62359 99.63 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 390.81 Å2 / Biso mean: 124.6618 Å2 / Biso min: 47.6 Å2
Refinement stepCycle: final / Resolution: 3.503→47.217 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21935 0 448 0 22383
Biso mean--167.34 --
Num. residues----2820
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.503-3.55760.33271560.2988257997
3.5576-3.61590.28351400.26672655100
3.6159-3.67820.29991490.27042639100
3.6782-3.74510.36861320.24442699100
3.7451-3.81710.27671250.23652662100
3.8171-3.8950.2751460.23632661100
3.895-3.97960.24241620.21042649100
3.9796-4.07220.26371430.2021266299
4.0722-4.17390.23941310.18142677100
4.1739-4.28670.23191790.16932655100
4.2867-4.41280.23991440.16172678100
4.4128-4.55510.21581340.1482711100
4.5551-4.71770.18661340.13782712100
4.7177-4.90640.18371200.14192691100
4.9064-5.12950.1951230.14472723100
5.1295-5.39960.21311510.14182688100
5.3996-5.73730.2021330.15822718100
5.7373-6.17940.2081470.17542710100
6.1794-6.79960.23161520.17792701100
6.7996-7.77980.23341540.17722731100
7.7798-9.78730.21031520.15622752100
9.7873-47.2170.22271420.1806285799
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)
11.31341.12380.22884.96150.30550.5070.08120.4180.6924-0.6517-0.2054-0.1799-0.33810.10410.09011.28240.16250.46830.95310.26681.2925-41.333713.4427-50.9377
22.61143.5138-0.94738.7853-1.30991.04930.06130.37040.0411-0.47060.2141-0.4487-0.3672-0.0367-0.2191.15660.1680.23490.93850.08721.0146-46.9192-16.0694-52.431
32.12782.50820.28247.20212.59542.6934-0.06820.5823-0.1336-0.9469-0.42590.63550.5254-0.03140.43721.11230.22580.14211.0175-0.18520.7211-61.2613-44.3084-52.8596
41.88051.82081.10169.05552.64072.29780.1670.19940.52970.0854-0.0238-0.1812-0.15350.0224-0.21360.70640.11430.23470.7404-0.00250.4941-49.7938-23.1748-40.1083
57.00990.09150.92412.56221.44716.0758-0.1811-0.0466-1.088-1.1508-0.44481.88620.8873-1.51430.52661.776-0.04810.01681.2013-0.57331.8639-71.6568-66.6296-51.9281
61.35651.21350.20646.50961.2360.63090.2541-0.17040.59470.3703-0.2031-0.4172-0.3386-0.2261-0.0221.19370.08470.15730.8429-0.03831.0914-57.359315.919-19.7839
72.25351.13641.01813.39452.03471.18160.22380.02370.56520.9055-0.2820.06980.0899-0.6232-0.03051.17640.10690.05310.8129-0.07650.8334-67.3207-10.3393-25.6098
87.36773.78610.88837.40550.40792.47640.4891-0.3395-0.402-0.3319-0.56980.35140.2857-0.61380.13560.65220.04740.08740.7774-0.09390.6406-73.8963-41.7509-25.6124
92.65042.71990.22134.33120.53490.91750.15490.0106-0.42990.2452-0.1618-0.46690.2516-0.23970.00930.6235-0.01780.11340.828-0.10640.9395-67.389-40.0815-30.2061
102.4231-0.1026-0.25665.0350.79193.07540.1861-0.60190.66360.3279-0.03750.0299-0.15160.2762-0.05110.53360.1130.21520.67680.08860.7085-50.1902-48.4162-20.1105
111.43412.5998-0.10455.4787-0.48280.14550.1085-0.08870.29530.4775-0.2745-0.8811-0.3290.24160.1711.056-0.102-0.02021.07350.00732.0033-23.71095.0198-21.7483
121.37660.63660.45536.98320.08681.85320.1346-0.1438-0.2418-0.5271-0.3343-0.12220.6226-0.05040.19920.66220.0820.12920.69870.0080.7761-44.7541-47.5761-28.1943
130.683-1.1136-0.11326.4205-1.7560.7176-0.16330.06840.0851-0.00220.2963-0.0293-0.4410.1045-0.10190.75320.07460.18540.715-0.05090.9794-49.5344-22.6831-26.9995
146.27460.80821.43268.3649-0.69814.61310.93810.3873-1.3511-1.46-0.4905-0.18190.75890.3257-0.47031.46760.0783-0.05270.8478-0.06721.5365-54.0179-72.1774-34.4446
152.5844-1.68680.88821.7058-2.19234.14090.38220.88070.2613-1.1439-0.44470.3280.57590.36060.02111.93480.3075-0.10681.6643-0.30670.9846-64.8226-41.4969-83.1932
161.72190.36721.26930.7017-1.50377.8941-0.2170.24180.2280.60690.2549-0.841.95190.1735-0.02353.02320.4269-0.19891.9155-0.3621.9544-78.9705-25.0319-107.4588
177.8088-0.46170.72250.4141-0.07861.5835-0.0154-0.7797-0.94260.34120.02480.30830.014-0.1415-0.04340.85620.08580.11190.81880.1660.8068-20.6151-61.7096-14.6577
184.77350.5042-0.11726.3185-0.16171.78580.1841-1.1097-0.19470.69610.06330.3206-0.1639-0.1068-0.23130.95220.10130.15761.02150.09750.45565.5071-55.163-10.7541
195.5746-0.01472.30163.8858-0.62226.1273-0.0564-0.12580.6787-0.5956-0.07260.3411-0.6412-1.12440.05551.71840.333-0.1721.5303-0.04441.114-74.7855-29.2186-69.89
202.06750.93870.90570.891-0.69882.86360.53080.7762-0.2613-1.34660.0182-0.2251-0.2878-1.4782-0.57512.53230.53880.00172.19680.09281.4394-94.0603-28.2058-100.3592
216.1802-0.221-1.00914.3701-1.23557.97450.27690.43930.0016-0.24030.01780.69170.0433-0.8109-0.23670.5009-0.0708-0.06740.91220.08220.6737-97.9109-40.4846-12.2539
223.0836-0.3647-2.56770.7054-0.89424.23750.0557-0.09290.47710.48290.48610.3387-1.0893-0.4592-0.51140.90570.12990.25630.892-0.00711.0011-104.7747-33.441918.6933
234.83140.94421.30914.8795-0.30244.4680.1702-0.13180.57290.396-0.2367-0.1023-0.25210.63550.0290.6303-0.17750.04850.7650.00140.6897-78.7032-34.9829-0.3308
245.86661.73220.32816.392-1.51735.50210.3468-0.83360.05950.57440.123-0.2342-0.3858-0.0443-0.42860.631-0.03210.05860.85290.03660.5258-96.5633-43.146329.7916
258.77262.0539-2.36423.3499-1.3263.38790.1390.33690.12890.302-0.22940.0739-0.2787-0.05320.09490.69530.09970.13840.62670.01810.5818-19.7763-50.8291-32.8888
264.8965-2.01831.35334.5868-1.75152.83790.0886-0.4409-0.22540.1306-0.09860.1244-0.40190.42770.10170.632-0.00520.03631.0210.10940.627716.031-57.5878-23.4034
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain A and resid 10:262)A10 - 262
2X-RAY DIFFRACTION2(chain A and resid 263:325)A263 - 325
3X-RAY DIFFRACTION3(chain B and resid 1:61)B1 - 61
4X-RAY DIFFRACTION4(chain B and resid 62:124)B62 - 124
5X-RAY DIFFRACTION5(chain B and resid 125:175)B125 - 175
6X-RAY DIFFRACTION6(chain C and resid 9:261)C9 - 261
7X-RAY DIFFRACTION7(chain C and resid 262:324)C262 - 324
8X-RAY DIFFRACTION8(chain D and resid 1:62)D1 - 62
9X-RAY DIFFRACTION9(chain D and resid 63:171)D63 - 171
10X-RAY DIFFRACTION10(chain E and resid 8:42)E8 - 42
11X-RAY DIFFRACTION11(chain E and resid 43:325)E43 - 325
12X-RAY DIFFRACTION12(chain F and resid 1:68)F1 - 68
13X-RAY DIFFRACTION13(chain F and resid 69:119)F69 - 119
14X-RAY DIFFRACTION14(chain F and resid 120:171)F120 - 171
15X-RAY DIFFRACTION15(chain G and resid 1:135)G1 - 135
16X-RAY DIFFRACTION16(chain G and resid 136:214)G136 - 214
17X-RAY DIFFRACTION17(chain H and resid 1:133)H1 - 133
18X-RAY DIFFRACTION18(chain H and resid 134:214)H134 - 214
19X-RAY DIFFRACTION19(chain I and resid 1:106)I1 - 106
20X-RAY DIFFRACTION20(chain I and resid 107:213)I107 - 213
21X-RAY DIFFRACTION21(chain J and resid 1:98)J1 - 98
22X-RAY DIFFRACTION22(chain J and resid 99:214)J99 - 214
23X-RAY DIFFRACTION23(chain K and resid 1:107)K1 - 107
24X-RAY DIFFRACTION24(chain K and resid 108:213)K108 - 213
25X-RAY DIFFRACTION25(chain L and resid 1:107)L1 - 107
26X-RAY DIFFRACTION26(chain L and resid 108:213)L108 - 213

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