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- PDB-5k9k: Crystal structure of multidonor HV6-1-class broadly neutralizing ... -

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Basic information

Entry
Database: PDB / ID: 5k9k
TitleCrystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968.
Components
  • 56.a.09 Heavy chain
  • 56.a.09 Light chain
  • Hemagglutinin
KeywordsIMMUNE SYSTEM / Influenza / multidonor / H5 / universal influenza vaccine
Function / homology
Function and homology information


viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / 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 / membrane
Similarity search - Function
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 / Immunoglobulins / Alpha-Beta Complex / Immunoglobulin-like ...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 / Immunoglobulins / Alpha-Beta Complex / Immunoglobulin-like / Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Biological speciesHomo sapiens (human)
Influenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.97 Å
AuthorsJoyce, M.G. / Thomas, P.V. / Wheatley, A.K. / McDermott, A.B. / Mascola, J.R. / Kwong, P.D.
CitationJournal: Cell / Year: 2016
Title: Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Authors: Joyce, M.G. / Wheatley, A.K. / Thomas, P.V. / Chuang, G.Y. / Soto, C. / Bailer, R.T. / Druz, A. / Georgiev, I.S. / Gillespie, R.A. / Kanekiyo, M. / Kong, W.P. / Leung, K. / Narpala, S.N. / ...Authors: Joyce, M.G. / Wheatley, A.K. / Thomas, P.V. / Chuang, G.Y. / Soto, C. / Bailer, R.T. / Druz, A. / Georgiev, I.S. / Gillespie, R.A. / Kanekiyo, M. / Kong, W.P. / Leung, K. / Narpala, S.N. / Prabhakaran, M.S. / Yang, E.S. / Zhang, B. / Zhang, Y. / Asokan, M. / Boyington, J.C. / Bylund, T. / Darko, S. / Lees, C.R. / Ransier, A. / Shen, C.H. / Wang, L. / Whittle, J.R. / Wu, X. / Yassine, H.M. / Santos, C. / Matsuoka, Y. / Tsybovsky, Y. / Baxa, U. / Mullikin, J.C. / Subbarao, K. / Douek, D.C. / Graham, B.S. / Koup, R.A. / Ledgerwood, J.E. / Roederer, M. / Shapiro, L. / Kwong, P.D. / Mascola, J.R. / McDermott, A.B.
History
DepositionMay 31, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 21, 2016Provider: repository / Type: Initial release
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 / database_PDB_caveat / 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_unobs_or_zero_occ_atoms / pdbx_validate_chiral / 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 / _chem_comp.type / _database_PDB_caveat.text / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _pdbx_validate_chiral.auth_asym_id / _pdbx_validate_chiral.auth_seq_id / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_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 27, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.2Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 56.a.09 Heavy chain
B: 56.a.09 Light chain
I: Hemagglutinin
H: 56.a.09 Heavy chain
L: 56.a.09 Light chain
F: Hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)217,92320
Polymers208,9036
Non-polymers9,02014
Water00
1
A: 56.a.09 Heavy chain
B: 56.a.09 Light chain
I: Hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)108,63710
Polymers104,4523
Non-polymers4,1867
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
H: 56.a.09 Heavy chain
L: 56.a.09 Light chain
F: Hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)109,28610
Polymers104,4523
Non-polymers4,8347
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)123.897, 136.559, 311.327
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number20
Space group name H-MC2221

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Components

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Protein , 1 types, 2 molecules IF

#3: Protein Hemagglutinin


Mass: 56403.855 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (strain A/Hong Kong/1/1968 H3N2)
Strain: A/Hong Kong/1/1968 H3N2 / Gene: HA / Production host: Homo sapiens (human) / References: UniProt: Q91MA7

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Antibody , 2 types, 4 molecules AHBL

#1: Antibody 56.a.09 Heavy chain


Mass: 24568.768 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#2: Antibody 56.a.09 Light chain


Mass: 23478.994 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Sugars , 7 types, 14 molecules

#4: 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.: 4
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
#5: 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.: 2
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
#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
#7: Polysaccharide alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-4)-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
DManpa1-4DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-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_c6-d1_d4-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{[(4+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#8: Polysaccharide alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D- ...alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[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: 1072.964 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-4DManpa1-6[DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3/a4-b1_b4-c1_c3-d1_c6-e1_e4-f1WURCSPDB2Glycan 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]{[(4+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#9: Polysaccharide alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-6)-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
DManpa1-6DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-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_c6-d1_d6-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{[(6+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#10: 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.: 4
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Details

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: 3.18 Å3/Da / Density % sol: 61.29 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 0.28M ammonium citrate, pH 8.5, and 12.5% (w/v) PEG-8000

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jan 10, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.969→50 Å / Num. obs: 41124 / % possible obs: 91.4 % / Redundancy: 5.1 % / Net I/σ(I): 13.74

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Processing

Software
NameVersionClassification
PHENIX(1.10.1_2155: ???)refinement
PDB_EXTRACT3.2data extraction
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4FNK, 5K9J

4fnk

5k9j


Resolution: 2.97→46.01 Å / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 30.57 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.265 2056 5 %
Rwork0.225 --
obs0.227 41124 75 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.97→46.01 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14486 0 600 0 15086
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00415479
X-RAY DIFFRACTIONf_angle_d0.68521120
X-RAY DIFFRACTIONf_dihedral_angle_d16.5819310
X-RAY DIFFRACTIONf_chiral_restr0.0462486
X-RAY DIFFRACTIONf_plane_restr0.0062646
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.969-3.03810.3958150.3244350X-RAY DIFFRACTION10
3.0381-3.1140.4236350.3514571X-RAY DIFFRACTION17
3.114-3.19820.3912550.3251942X-RAY DIFFRACTION28
3.1982-3.29230.3988700.34461462X-RAY DIFFRACTION42
3.2923-3.39850.34551060.30992025X-RAY DIFFRACTION59
3.3985-3.520.32561310.2832659X-RAY DIFFRACTION77
3.52-3.66080.30481560.26993188X-RAY DIFFRACTION92
3.6608-3.82740.29281600.25723402X-RAY DIFFRACTION98
3.8274-4.02910.28921810.23583458X-RAY DIFFRACTION100
4.0291-4.28130.24261940.22113443X-RAY DIFFRACTION100
4.2813-4.61160.23321790.18983489X-RAY DIFFRACTION100
4.6116-5.07520.23391900.18853460X-RAY DIFFRACTION100
5.0752-5.80830.23071960.20383476X-RAY DIFFRACTION100
5.8083-7.31310.27991930.23673519X-RAY DIFFRACTION100
7.3131-46.01330.24371950.19483624X-RAY DIFFRACTION99
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)
12.52580.988-2.3254.0098-1.65138.4237-0.0928-0.2495-0.6390.0844-0.4042-0.25430.31821.62110.50590.70040.1576-0.0870.65570.04020.863937.0337-58.686528.4309
26.02161.4044-2.60475.07511.453.7540.065-0.0158-0.50980.34770.52030.29440.8008-0.236-0.05880.5235-0.0414-0.03940.31980.13360.642127.7793-56.103334.8885
35.215-0.34610.13430.99560.57833.7535-0.12780.0907-0.5643-0.3321-0.09810.06770.8861-0.24270.19410.7224-0.05080.05350.51280.07340.569625.2417-58.04831.6939
48.49513.33840.53891.4524-0.43252.9652-0.58880.47740.0905-0.75320.30360.12840.11780.26440.15960.71870.21410.15080.57240.03390.600852.2552-44.413622.5131
56.35274.92813.24836.95735.58864.6868-0.5129-0.14910.2094-0.12720.1237-0.2620.13261.15490.69020.63880.0686-0.05680.55690.19010.710357.9153-38.014325.2536
62.08491.3394-0.75895.68612.18631.99440.076-1.1794-0.51440.3852-0.7725-0.40010.5137-0.03650.56520.63940.04-0.010.65740.20840.718552.9699-43.49531.5257
73.63520.5987-2.28553.39170.02223.1189-0.60.3240.1808-0.508-0.1586-0.4383-0.72531.46070.18170.6040.0893-0.00520.62670.14260.661653.5247-37.550124.6763
81.77391.72490.04522.10281.05212.39110.3397-0.8548-1.53510.57830.43790.62811.22821.16060.09680.88920.0547-0.08881.27090.6811.304469.8641-38.427737.899
92.07460.99850.18133.8280.22560.6786-0.2184-0.32960.20041.09410.0381-0.02580.43330.44480.15710.5370.2445-0.01040.85550.33181.04756.0157-48.974427.9809
106.68124.37842.13638.42563.32488.82670.1918-0.9184-0.30040.8667-0.4096-1.63591.77780.71480.39370.83560.26750.11750.80130.08411.098960.9267-49.750826.9278
114.08980.5493-4.14920.7793-0.24944.3433-1.09380.77350.6067-0.6921.2512-0.41441.56232.33720.30770.98830.0943-0.00641.36680.42180.836174.0999-35.086826.2477
124.41631.97910.26393.4149-1.6124.56-0.03110.24471.40420.50090.6390.1435-0.65680.5317-0.45460.63080.1360.02280.6554-0.19230.822824.912-30.443235.396
136.47851.7266-1.73731.714-0.77921.11310.1707-0.31180.52770.2527-0.2624-0.0365-0.09890.24070.12920.64780.0167-0.04960.5848-0.00940.574130.8448-36.646936.8595
144.64520.18-2.56784.19741.93216.0471-0.42570.25440.9752-0.07340.16140.23080.31250.24670.08670.78030.0093-0.17250.65070.15560.842850.0951-26.708323.8247
155.2096-0.4125-1.91945.73344.57966.79460.25830.61710.6078-1.1836-0.28790.2042-1.17710.35090.03430.9107-0.0375-0.00180.71530.3040.952860.1364-24.487117.3449
161.7038-0.27122.07282.3725-0.62032.52540.1677-0.2804-0.22340.0515-0.4380.10621.7843-0.61730.54060.9256-0.32040.12481.1788-0.01010.81945.3759-63.293347.733
171.78770.69510.21881.38120.44884.17560.0080.1250.35690.06060.1346-0.1107-0.08180.199-0.09930.52060.1145-0.02570.6507-0.0010.740436.4563-43.5997104.7329
180.68350.06480.8641-0.00230.09711.8144-0.19020.36360.123-0.08010.2368-0.0689-0.00920.01930.05560.6499-0.00880.0320.87490.01730.644726.0927-49.026588.7227
195.52722.44612.87832.41711.98225.24520.1989-0.3508-1.6577-0.048-0.6511-0.43241.0765-0.78340.52950.8954-0.2846-0.11090.9962-0.01650.73736.0397-62.527538.9799
204.3704-2.4092-2.41585.13042.94773.40810.05460.04290.012-1.210.3185-0.4984-0.3647-0.376-0.20160.6477-0.12790.14320.71570.11810.63817.0085-52.711339.2625
212.27310.1494-2.00563.37321.84052.9248-1.0718-1.23190.91290.2468-0.27710.747-1.6038-0.56841.04510.69070.0777-0.10311.4906-0.1930.67588.0454-43.518471.3311
221.43230.58761.24235.7292-3.15293.52420.60011.18430.16541.9344-1.25490.0175-2.0072-0.4149-0.49321.4348-0.21550.26031.86-0.38591.11916.2564-46.698194.1152
230.1049-0.3728-0.15431.21620.16622.4494-0.066-0.30480.05610.1153-0.310.3130.5559-1.61940.44610.6721-0.20430.06981.4958-0.0460.5966-0.2215-54.569956.8972
244.3552-0.44416.45572.07190.02659.89160.1027-0.4234-0.4349-1.62480.40441.63760.6093-0.398-0.39771.0108-0.06360.0330.94010.00431.034-1.5828-57.988826.5905
252.17691.6230.21068.67073.93998.90210.1811-0.8167-1.0331-1.3486-1.42670.6067-1.3933-0.9891.02791.0148-0.1653-0.21.4957-0.04931.0234-12.0757-59.737519.0235
260.1147-0.1797-0.1750.41730.18813.6018-0.09690.67230.3109-0.11610.30590.05780.3004-1.0175-0.25960.861-0.1279-0.07890.77550.18550.9881-11.9333-7.962815.0123
274.02522.4880.11862.8415-0.97695.1829-0.15010.28910.71730.03720.0880.0767-0.0062-0.84430.10030.4613-0.0139-0.17850.36480.11710.7465-8.1621-7.893424.8209
283.09490.3675-0.21695.70771.04454.1366-0.31750.21030.9436-0.66540.38380.2635-0.69990.47660.00630.6649-0.1774-0.13210.44460.13820.6804-1.6927-3.614623.884
294.44570.65391.90471.23681.33571.8143-0.21610.31150.1043-0.43170.2533-0.09190.1822-0.34190.05560.7148-0.1826-0.06910.34590.12340.5678-11.8511-15.485117.2092
305.2107-0.8580.2042.307-0.18882.357-0.03120.21020.25730.71430.39520.29090.1715-0.70540.00160.9329-0.3023-0.06680.89760.22130.5438-26.3528-23.53516.921
318.1437-0.45-1.60713.41420.23573.0658-0.14710.72180.30970.3470.08360.5371-0.3978-0.9617-0.04810.7872-0.0817-0.05060.81920.13130.6655-31.3394-23.83747.9977
327.39410.08731.51072.4992.01053.854-0.0603-0.1346-0.1316-0.04010.07330.16540.48990.348-0.1640.5194-0.0456-0.01720.43210.17620.5835-4.594-34.643329.555
333.92423.322.05053.05952.3413.04960.2086-0.0229-0.15370.3892-0.060.20850.564-0.0229-0.19290.6234-0.00410.03120.3820.1070.5343-7.0924-27.940732.5888
341.69741.31251.32942.8397-1.24735.0574-0.25330.67730.071-0.60330.44330.1414-0.21680.2501-0.17360.8323-0.2588-0.00490.81280.05920.7177-26.7604-36.64173.1655
353.75350.351.05891.9912-0.65565.1258-0.10750.7387-0.4541-0.30730.0806-0.10380.20340.1618-0.10640.8029-0.15890.06290.7439-0.02710.8663-22.7756-36.60473.0082
363.58231.50152.16613.5781-1.90758.80470.28880.7459-1.0188-0.9010.80740.32040.77980.0788-0.54271.0538-0.45170.05291.06360.02020.8685-30.1285-45.11050.6149
377.2433-1.0133-2.69671.55611.43384.86340.50520.10610.32290.4322-0.3799-0.052-1.1566-0.1155-0.62330.4993-0.0082-0.13950.45850.09720.5198.0097-0.735746.7598
382.9488-0.0207-2.20810.325-0.38232.7869-0.0477-0.1786-0.02540.16760.24620.3304-0.0028-0.7962-0.10040.8365-0.08440.04681.41620.070.8736-38.1263-13.594383.7976
397.63323.59972.11268.0182-2.54458.4364-2.4241.02421.6537-0.4932-0.4651-0.7479-2.1482-1.19331.79661.0021-0.0275-0.18191.1170.05431.006616.6866.935436.1434
405.67151.8851-0.84263.5275-2.37965.1785-0.28720.15570.0687-0.35430.10030.0794-0.36680.52150.30420.4746-0.0098-0.02360.5321-0.05280.51669.6911-7.518239.6689
412.87220.7627-2.21644.62390.06222.9914-0.5391-1.0881-0.77910.2071-0.80980.15781.94260.04620.82650.8077-0.1480.03281.0433-0.02910.6721-5.3802-18.860870.9564
429.8327-3.9917-6.8799.04924.61525.32290.37830.70530.67020.6313-0.91681.31631.951-1.1040.8961.6863-0.43260.26571.44850.14871.1055-15.0743-12.628491.3569
433.85831.3664-3.11031.0089-1.36154.8891-0.2999-0.8305-0.2272-0.0971-0.1777-0.19440.17140.56650.350.5661-0.1267-0.08970.8217-0.01410.516913.117-7.605452.2787
447.27581.29712.95726.6306-2.27697.8979-0.76661.1528-1.169-0.78310.4308-1.07670.64051.20080.55590.9648-0.02360.31560.6118-0.05070.880529.0327-9.097929.8649
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:25 )A1 - 25
2X-RAY DIFFRACTION2( CHAIN A AND RESID 26:43 )A26 - 43
3X-RAY DIFFRACTION3( CHAIN A AND RESID 44:103 )A44 - 103
4X-RAY DIFFRACTION4( CHAIN A AND RESID 104:130 )A104 - 130
5X-RAY DIFFRACTION5( CHAIN A AND RESID 134:145 )A134 - 145
6X-RAY DIFFRACTION6( CHAIN A AND RESID 146:165 )A146 - 165
7X-RAY DIFFRACTION7( CHAIN A AND RESID 166:189 )A166 - 189
8X-RAY DIFFRACTION8( CHAIN A AND RESID 190:193 )A190 - 193
9X-RAY DIFFRACTION9( CHAIN A AND RESID 194:203 )A194 - 203
10X-RAY DIFFRACTION10( CHAIN A AND RESID 204:211 )A204 - 211
11X-RAY DIFFRACTION11( CHAIN A AND RESID 212:216 )A212 - 216
12X-RAY DIFFRACTION12( CHAIN B AND RESID 1:18 )B1 - 18
13X-RAY DIFFRACTION13( CHAIN B AND RESID 19:128 )B19 - 128
14X-RAY DIFFRACTION14( CHAIN B AND RESID 129:174 )B129 - 174
15X-RAY DIFFRACTION15( CHAIN B AND RESID 175:214 )B175 - 214
16X-RAY DIFFRACTION16( CHAIN I AND RESID 6:41 )I6 - 41
17X-RAY DIFFRACTION17( CHAIN I AND RESID 42:213 )I42 - 213
18X-RAY DIFFRACTION18( CHAIN I AND RESID 214:328 )I214 - 328
19X-RAY DIFFRACTION19( CHAIN I AND RESID 335:356 )I335 - 356
20X-RAY DIFFRACTION20( CHAIN I AND RESID 357:379 )I357 - 379
21X-RAY DIFFRACTION21( CHAIN I AND RESID 380:397 )I380 - 397
22X-RAY DIFFRACTION22( CHAIN I AND RESID 398:410 )I398 - 410
23X-RAY DIFFRACTION23( CHAIN I AND RESID 411:461 )I411 - 461
24X-RAY DIFFRACTION24( CHAIN I AND RESID 462:487 )I462 - 487
25X-RAY DIFFRACTION25( CHAIN I AND RESID 488:501 )I488 - 501
26X-RAY DIFFRACTION26( CHAIN H AND RESID 1:17 )H1 - 17
27X-RAY DIFFRACTION27( CHAIN H AND RESID 18:43 )H18 - 43
28X-RAY DIFFRACTION28( CHAIN H AND RESID 44:82 )H44 - 82
29X-RAY DIFFRACTION29( CHAIN H AND RESID 83:128 )H83 - 128
30X-RAY DIFFRACTION30( CHAIN H AND RESID 134:154 )H134 - 154
31X-RAY DIFFRACTION31( CHAIN H AND RESID 155:216 )H155 - 216
32X-RAY DIFFRACTION32( CHAIN L AND RESID 1:18 )L1 - 18
33X-RAY DIFFRACTION33( CHAIN L AND RESID 19:113 )L19 - 113
34X-RAY DIFFRACTION34( CHAIN L AND RESID 114:150 )L114 - 150
35X-RAY DIFFRACTION35( CHAIN L AND RESID 151:188 )L151 - 188
36X-RAY DIFFRACTION36( CHAIN L AND RESID 189:214 )L189 - 214
37X-RAY DIFFRACTION37( CHAIN F AND RESID 4:41 )F4 - 41
38X-RAY DIFFRACTION38( CHAIN F AND RESID 42:327 )F42 - 327
39X-RAY DIFFRACTION39( CHAIN F AND RESID 329:338 )F329 - 338
40X-RAY DIFFRACTION40( CHAIN F AND RESID 339:379 )F339 - 379
41X-RAY DIFFRACTION41( CHAIN F AND RESID 380:400 )F380 - 400
42X-RAY DIFFRACTION42( CHAIN F AND RESID 401:412 )F401 - 412
43X-RAY DIFFRACTION43( CHAIN F AND RESID 413:474 )F413 - 474
44X-RAY DIFFRACTION44( CHAIN F AND RESID 475:501 )F475 - 501

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