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- PDB-5k9o: Crystal structure of multidonor HV1-18+HD3-9 class broadly neutra... -

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Basic information

Entry
Database: PDB / ID: 5k9o
TitleCrystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009
Components
  • 31.b.09 Heavy Fv
  • 31.b.09 Light Fv
  • Hemagglutinin
KeywordsIMMUNE SYSTEM / HV1-18 / 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 / 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 (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: 3.387 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
DepositionJun 1, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 28, 2016Provider: repository / Type: Initial release
Revision 1.1May 24, 2017Group: Structure summary
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...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 / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.auth_asym_id / _atom_site.auth_seq_id ..._atom_site.auth_asym_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_entity_id / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _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 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 31.b.09 Heavy Fv
B: 31.b.09 Light Fv
F: Hemagglutinin
H: 31.b.09 Heavy Fv
I: Hemagglutinin
L: 31.b.09 Light Fv
hetero molecules


Theoretical massNumber of molelcules
Total (without water)210,8137
Polymers210,2276
Non-polymers5871
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13090 Å2
ΔGint-80 kcal/mol
Surface area85130 Å2
MethodPISA
Unit cell
Length a, b, c (Å)208.648, 208.648, 252.031
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number177
Space group name H-MP622

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Components

#1: Antibody 31.b.09 Heavy Fv


Mass: 24235.127 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 31.b.09 Light Fv


Mass: 24229.977 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Protein Hemagglutinin /


Mass: 56648.316 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (strain swl A/California/04/2009 H1N1)
Strain: swl A/California/04/2009 H1N1 / Gene: HA / Production host: Homo sapiens (human) / References: UniProt: C3W5S1
#4: 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

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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: 3.97 Å3/Da / Density % sol: 69.05 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 0.1M imidazole, pH 6.5, 0.1M MgCl2, 1.75M NaCl, and 15% PEG-3350

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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: May 23, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.38→50 Å / Num. obs: 29074 / % possible obs: 71 % / Redundancy: 6.6 % / Net I/σ(I): 11.76

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Processing

Software
NameVersionClassification
PHENIX(1.10_2155: ???)refinement
PDB_EXTRACT3.2data extraction
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1wt5, 3al4, 3lzg, 3ube, 3ubj, 3ubn, 3ubq, 3ztn, 4jtv, 4jtx, 4juo, 4lss

1wt5

3al4

3lzg

3ube

3ubj

3ubn

3ubq

3ztn

4jtv

4jtx

4juo

4lss


Resolution: 3.387→38.965 Å / SU ML: 0.54 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 41.41 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3456 1431 4.92 %
Rwork0.2913 --
obs0.294 29074 63.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.387→38.965 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14019 0 39 0 14058
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00414412
X-RAY DIFFRACTIONf_angle_d0.84119590
X-RAY DIFFRACTIONf_dihedral_angle_d15.1938584
X-RAY DIFFRACTIONf_chiral_restr0.0482159
X-RAY DIFFRACTIONf_plane_restr0.0062509
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.387-3.5080.2697120.3498253X-RAY DIFFRACTION6
3.508-3.64830.4487280.3362653X-RAY DIFFRACTION15
3.6483-3.81420.309580.32711092X-RAY DIFFRACTION26
3.8142-4.01510.39870.32611870X-RAY DIFFRACTION44
4.0151-4.26640.33341460.30542775X-RAY DIFFRACTION65
4.2664-4.59530.33512030.28963576X-RAY DIFFRACTION84
4.5953-5.05690.28542170.26854063X-RAY DIFFRACTION94
5.0569-5.78660.33672090.30134326X-RAY DIFFRACTION99
5.7866-7.28270.38142340.33994395X-RAY DIFFRACTION100
7.2827-38.96780.35762370.2644640X-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)
13.78840.4979-1.39853.06890.91514.0566-0.34680.9194-0.6048-1.48110.879-0.31331.46050.57070.07323.49990.2040.06532.89240.0556-0.2477172.819251.9749.769
20.78821.1242-0.80172.5911-0.64193.27731.3350.12870.6114-0.3068-0.59830.0261-0.6476-0.2135-0.06542.29191.04040.49492.35240.35931.345180.032251.10114.254
31.2744-0.3217-0.8451.91780.32731.731-0.94151.0856-1.1701-0.2841-0.3187-0.17740.6008-0.3221-0.06011.4595-0.50952.15671.9476-1.03391.2752174.752238.36417.954
42.02640.2184-1.46162.241-0.88112.4890.74740.457-0.4593-1.50280.3937-0.74311.0625-2.2914-0.07762.0361-0.55250.62242.23750.14291.4799181.239248.20927.206
51.4312-1.5701-1.03435.7127-1.00881.9919-0.7208-0.0799-0.6730.84310.8983-0.3806-0.32950.8194-0.02972.1346-0.62840.77052.9137-0.0061.992185.077248.01520.005
68.24556.92419.38695.98757.4512.02073.29181.9217-1.99861.17691.7396-1.7357-1.34061.03053.62471.94430.12950.50261.60660.61360.7294180.673238.74314.982
70.69140.234-0.16840.86970.4771.15150.2707-0.9094-0.3374-0.3896-0.18881.42720.2365-0.1039-0.00852.787-0.2480.13672.04650.05171.3415171.723248.86322.141
80.10740.17770.4790.16430.56511.6708-0.62450.61720.0754-0.88-0.2238-1.01560.06830.3175-0.05282.8828-0.2526-0.06651.636-0.09441.6689157.032229.77524.724
91.0783-0.2721-0.23420.6763-0.21622.3892-0.54471.2348-1.0544-1.0682-1.57090.95980.3497-0.30620.01481.4674-0.52350.2711.6259-0.34071.8243165.47244.51736.925
101.4928-0.2709-2.25751.9125-0.25773.70240.1198-1.31710.96990.0736-1.0214-1.8549-0.0680.0708-0.1322.7272-1.080.29732.6382-0.67571.1501162.215240.49116.021
111.4628-0.5657-2.65791.67811.19254.7732-0.0795-1.20471.10741.45-0.8552-0.79110.2445-0.7242-0.04682.9765-0.12650.12472.2601-0.2071.24158.637246.15125.375
123.6724-2.32843.67645.20870.87068.26370.14230.1346-0.2799-0.24570.3640.2293-0.04650.3120.07072.2959-1.1904-1.17684.14450.89333.6319154.409249.57722.188
133.0919-1.06990.20285.1797-2.80611.57310.67930.81991.1548-1.3199-0.02140.2526-0.3524-0.5437-0.07362.2451-0.0820.45932.28910.01621.606150.065242.8322.889
141.5744-0.82813.18540.9357-2.05547.43160.37160.4559-0.431.01010.1998-0.5187-0.1741-0.3416-0.07372.2633-0.72740.49882.4466-1.07521.5598155.853235.43431.675
150.05340.15760.39210.6081.07272.94530.29220.6451-0.3242-0.59810.6872-0.0350.5857-0.64832.10113.7028-2.2257-1.07453.4354-0.7381-0.1677154.111236.82115.637
162.8731.00042.24390.73860.91832.60490.40271.32760.18050.33620.4742-0.66310.1915-0.07580.32831.6536-1.7323-0.25312.1314-0.821.9128171.02237.99428.698
173.52861.12183.34837.73432.00853.29330.08970.12410.2126-1.1750.9670.3307-0.14580.0336-0.07412.36910.33510.2552.7084-0.0572.1623156.592229.74914.183
181.8883-0.29160.53175.02631.12367.00370.289-0.0117-0.44260.5466-0.01810.04670.2983-0.0430.02283.5411-0.65541.12210.9538-1.08762.6782160.134256.27133.648
192.7457-0.36760.80171.8204-2.51434.3834-0.3268-0.26360.10310.0504-0.1787-0.1894-0.25970.3564-0.09144.04361.0141-0.53762.20090.44961.4595157.886243.224141.503
203.3533-2.56-0.49974.52152.6162.0299-0.29560.52090.3047-0.1497-0.3052-0.1201-0.15180.06550.04553.0324-0.7497-0.02064.4060.83373.5802154.743225.528145.107
213.0323-0.85683.48630.7093-0.16585.4877-1.9801-1.39722.08560.2559-1.40720.5113-0.5118-0.2492-0.2691.77230.81770.25064.1057-2.21064.0507157.183240.302137.072
222.7888-1.3857-1.13633.00840.40323.7046-0.53730.17740.2108-0.6314-0.40620.2853-0.6701-0.2078-0.74191.82210.8971-0.47663.843-0.52020.2643159.573251.959127.425
231.1689-0.2421-0.41430.57490.54392.20920.1072-1.6105-0.75230.2691-1.3109-1.1738-0.79390.90140.00462.6791-0.215-0.25363.5715-0.12692.2693159.475239.144131.975
240.01710.2222-0.22874.4189-2.2641.3960.3191-2.0903-0.45270.31790.1737-0.23690.19740.10910.12721.52240.152-0.59964.55070.11892.1532166.448237.609138.814
254.48443.9637-0.16284.36040.6886.4073-0.0579-0.03420.65210.0479-0.4189-0.17580.32090.0550.00752.0732-0.224-1.12924.037-0.20932.4702167.8246.355139.038
265.55133.0457-3.8384.5609-4.30174.3243-0.0386-0.12760.05680.1623-0.10810.5338-0.2734-0.2995-0.46443.8556-0.40741.06623.45562.1473.2225159.272233.065150.477
274.8079-0.2711-0.54042.64750.57754.0457-0.4156-0.80990.59770.5956-0.4805-0.1366-0.09310.2471-0.16344.8077-1.521-0.33491.9995-0.79841.2978149.915228.994135.94
285.4558-3.5669-0.60068.0408-1.26261.4076-0.435-0.1722-0.642-0.0199-0.794-0.24820.40020.3611-0.0123.28810.30180.41394.2495-0.9821.795153.377247.219148.191
293.31820.4941-1.12987.50980.06164.20190.9806-0.31840.024-0.1571-0.3494-0.12930.48711.1214-0.01342.5087-0.06731.18580.7263-0.5732.7153149.202236.849137.543
304.34890.3972-1.86735.2358-0.79714.6689-0.7148-1.3389-1.0289-0.17431.7011-0.8459-0.5804-0.1564-0.00143.561-0.3828-0.05642.2043-0.03511.8737143.33230.78129.304
310.4830.4316-1.19090.363-0.97953.07340.8698-0.8645-0.97890.37151.46730.3414-0.00290.1513-0.00032.7771-0.0342-0.23484.04270.50443.3629135.242239.61139.623
323.9746-1.9323-2.06776.56510.28213.8286-2.64480.3839-0.3521-1.1932-0.7553-0.5923-0.5078-0.4165-0.00523.45650.19890.22363.0513-0.19763.4856153.125231.872124.187
332.0559-0.4936-1.06282.83071.44943.2422-1.70330.1368-0.4034-0.26890.0173-0.8507-0.5297-0.2211-0.02093.3947-0.09590.36373.35180.05382.5432143.801243.729142.761
342.5420.534-0.59166.2321-1.16794.61370.1932-0.30430.1058-0.3734-0.7229-0.6921-0.19070.5343-0.04234.3249-0.76340.90862.0215-0.07461.585140.168228.393136.908
352.25112.24753.01542.60752.00666.8152-0.7793-0.2119-0.1134-0.5654-0.4283-0.81560.62980.5429-0.10094.93230.07330.89852.43270.06031.9938144.463232.075147.666
362.1173-0.84141.27381.1939-1.30186.3969-0.09610.3925-0.0928-0.20110.0135-0.04310.0781-0.3784-0.03374.2981-1.74612.06965.387-0.31752.2618180.71237.514-7.63
370.7677-0.656-0.38272.7412-0.55643.66250.4561-0.2379-0.2613-0.56880.76090.89882.06170.49410.43526.0283-1.0602-0.90023.82180.10691.32156.545234.251-17.456
388.1229-0.9131.38142.25290.38572.7852-1.2797-0.07670.21690.1816-1.6642-1.12370.65380.8821-0.01035.8248-0.28840.51044.1534-0.19432.991164.619235.022-10.895
394.0978-1.22930.92941.3218-1.4151.5669-0.4278-0.1478-0.16630.2132-0.29110.00540.869-0.1935-0.16316.01531.62680.37982.344-0.1741.1816176.462236.769-1.359
401.90760.2341-0.06591.76230.73542.7083-1.68770.82111.4646-1.45691.24741.21130.96650.15410.02164.32810.27340.1482.5292-0.34292.984164.544237.622-4.904
416.1713-1.51270.52483.71520.0421.92110.2510.3451-0.2521-0.43260.3825-0.1684-0.9844-2.55030.01264.18081.28330.0712.914-0.17033.8811161.247235.877-7.629
424.5236-0.1322.14780.0661-0.25051.3997-0.8828-0.17990.0605-0.4541-0.00062.21731.58181.05330.10864.29940.3093-0.50322.60990.0572.6261162.07244.405-12.21
432.28572.60712.1133.0411.63489.3462-0.25520.12390.00140.26180.6256-0.1530.6711-0.39220.08993.68330.47620.91792.39510.48843.6532170.84245.635-12.524
441.79031.18361.20032.27351.5481.21140.0427-0.01540.0624-0.0405-0.03960.12010.019-0.0778-0.00252.3162-0.727-2.04784.24410.61052.8007157.23237.844-24.072
454.32442.0889-0.38471.9259-0.20380.1102-0.31031.06111.49710.08030.25770.4481-0.40330.31870.00840.9264-0.38250.25851.08420.06521.0177140.657243.95646.02
465.4761.7708-0.99294.9566-1.07746.1775-0.15480.889-0.9583-0.56910.0240.3368-0.09480.1622-0.11010.51310.0227-0.03330.6185-0.17730.9137114.894222.89346.535
471.5231.59620.19961.4302-0.46193.6842-0.34320.6105-0.1044-0.39510.3568-0.721-0.32030.03020.07781.111-0.36620.31831.3452-0.10061.775168.414249.26346.774
483.2557-0.90721.973.4902-2.16214.0294-0.08431.71330.15990.35420.0477-0.82811.50731.3250.0698-0.8497-1.57790.83871.2810.26390.9466182.935252.53750.98
492.24810.7333-0.68163.63550.13628.5915-0.66090.72730.2483-0.7746-0.0656-0.7483-0.68230.7364-0.1373.545-1.25110.44625.73090.03780.7638153.204228.108-9.89
508.8829-2.824-1.66293.14960.60760.3168-0.4484-0.14210.6529-0.4142-0.08990.73120.2553-0.045-0.35812.9554-1.55751.36764.6195-0.61643.5223171.292231.811-22.304
518.65670.7839-0.27135.18260.92355.6692-0.6035-0.4050.0833-0.43640.01070.3156-0.644-0.52020.16443.22771.4763-0.5935.1471-0.86582.4231161.03227.315-11.658
525.0370.29191.10585.45380.96055.26561.2157-0.20620.1828-1.11110.6905-0.2546-0.162-0.3718-0.02922.72060.8184-0.50264.7547-0.79731.9693154.956221.214-3.604
530.31390.21480.96540.65120.62453.07190.25460.6045-0.0061-0.67580.31420.53780.1734-0.28110.00626.4105-0.3785-0.95313.23470.64222.0705163.479213.439-14.415
546.4292-5.6627-4.66189.39096.22294.4144-0.16970.5067-0.1971-0.4513-0.1589-0.12610.25110.0435-0.01526.05580.4064-0.04253.24280.98442.4184164.341224.283-3.616
556.2296-0.4113-0.28383.97852.00483.55280.3520.1532-0.74050.3455-0.0961-0.0426-0.18950.33610.03512.10470.6620.20383.95560.20612.2623152.929233.4974.173
563.338-0.7362-0.72571.91350.41353.6152-1.3847-0.51741.0489-0.2972-1.0396-1.2921-0.5177-0.1401-0.01493.4270.0199-0.37273.11060.35482.2247167.731222.067-17.25
576.2432-0.55131.44573.51321.18638.05990.50790.5870.1661-0.3005-0.0643-0.3101-0.03850.38320.00272.54660.08030.04253.8812-0.81771.3489157.964218.156-16.613
587.86130.64814.41056.8033.87437.04020.0834-1.88270.37220.52530.18280.3594-0.1042-1.15180.08753.6284-0.7644-0.57133.2435-0.53212.7795145.041218.81-4.215
591.50991.6104-2.64011.7172-3.09329.03140.5240.35280.88490.2726-0.4803-1.0063-0.1125-0.67630.2143.27561.62190.18874.49211.25542.2994156.007223.112-21.925
606.6093-4.4056-4.235.184.85424.8902-1.1463-0.20480.3448-0.14920.59810.613-0.08870.2716-0.03112.309-0.20990.1752.0641-0.4841.6089175.014248.116116.368
610.15940.286-0.45171.6043-0.82771.2027-0.4123-0.0869-0.0350.02390.10410.11110.0348-0.29410.09752.99661.472-0.59951.9422-1.02722.0785160.466265.065118.894
623.2971-1.5965-0.60170.9280.15310.2009-0.0854-0.79-0.01340.2622-1.5482-0.54030.6454-1.06030.02221.32110.4830.34361.9061-0.06361.9822179.225251.142109.187
639.41952.7-3.43481.6716-0.53582.1042-0.1225-1.0835-0.10630.1403-0.0658-0.27860.7209-0.50570.12452.2846-0.01350.67282.1778-0.68362.7921161.772250.282108.438
640.41160.57-0.01340.94750.47411.4186-0.52390.24080.3485-0.5175-0.16060.7805-1.32010.0209-0.03491.744-0.12-2.71471.5774-2.14562.2302166.056253.126102.131
654.567-0.8243-0.3963.85210.98370.60740.04721.1673-0.103-0.4679-0.18640.96530.6142-0.1678-0.27792.3205-0.68120.89241.9087-0.61451.1401175.223257.47397.228
666.4097-1.68151.37711.90481.42362.473-1.22970.2741-0.087-0.742-2.38670.963-1.3584-1.3922-0.05461.49130.09540.03631.7882-0.41732.2996167.125261.472103.14
676.4156-1.34670.18150.65970.36380.53240.2271-0.60770.27710.832-0.12221.6753-0.8433-0.053-0.01442.48910.30520.05141.6772-0.10371.5237176.684258.732110.072
683.42270.52130.04832.48792.03842.5629-0.4265-0.73510.636-0.14210.24390.1871-0.3245-0.5955-0.76391.1128-0.44671.34861.9837-0.59872.4677156.799261.015111.761
691.219-0.2439-0.73711.86441.11452.6675-0.0428-0.52430.44020.9613-0.33220.4989-0.4162-0.06160.21382.4811-0.7173-0.50741.888-1.75771.3867168.639248.692109.801
701.18241.4964-0.82251.9638-1.41443.87311.81410.09540.2706-0.59520.8078-0.2589-0.8803-0.8594-0.03472.091-0.92420.15771.4197-0.63351.6385175.56247.29694.645
711.6363-0.8917-0.89033.12021.69992.6473-0.2597-0.5286-0.5774-0.3962-0.4719-0.30831.35640.47790.01111.30440.14590.1392.0788-0.32772.0987169.083246.683112.278
720.76050.04130.34330.5679-0.83642.31880.9362.02050.7094-0.83980.1563-0.5631.12020.06230.09110.2453-0.9746-0.06731.2677-0.50740.8978182.784246.77675.155
731.19992.67570.49955.88330.86620.97780.7406-1.1371-0.21320.8758-0.9132-0.518-0.68570.8449-0.06680.3847-0.06240.25180.6735-0.18250.9971161.619204.61881.969
743.97920.86690.05925.63821.15744.87470.1284-0.2885-0.31060.3284-0.00580.480.05460.031-0.10520.26560.06280.10770.41690.06490.9035146.065190.59478.916
751.09560.4123-0.97322.1767-0.52791.88960.38561.01680.34131.37680.2246-0.34740.3660.87180.09151.3615-0.34270.15780.771-0.17471.4035178.692241.96479.717
760.91390.11560.38065.8338-1.13810.2166-0.55830.09051.15490.24640.17421.708-0.333-0.1541-0.0051.3613-0.47270.12680.9978-0.1611.0453176.088258.1176.581
773.09352.907-0.99115.3948-3.01394.12520.4806-0.39260.2458-0.282-0.2746-0.11820.5096-0.18080.8212.039-0.86191.29942.4185-0.75620.8256154.074243.40395.828
782.3809-1.2888-2.39081.08371.04622.5866-0.8477-2.23520.65560.7695-0.68231.26270.75910.6726-0.23551.6854-1.4014-0.30452.60210.1951.682152.386228.866104.171
795.89930.7404-0.80461.12750.00161.8445-0.617-0.04420.76461.33171.24221.05240.6557-0.280.01061.8443-0.1481-0.11470.916-0.25491.1214165.135242.72786.983
800.6187-0.1157-1.5901-0.01530.28935.237-1.1359-0.62760.85180.45960.17490.03680.1029-1.55170.02941.8141-0.22170.59142.38440.39921.923164.492237.958105.002
815.1615-1.8847-0.92513.93853.34877.787-0.51260.4310.0560.02950.0493-0.08730.3146-0.4845-0.9492.2562-0.6037-0.99782.64150.821.9155168.484235.389105.799
823.05430.3871.07962.44412.13612.56230.33570.5571-0.08120.535-0.0015-0.9006-0.0448-0.6095-0.00553.3071-0.6237-0.78992.39780.86152.2582170.206232.43595.431
835.7421-2.498-1.30622.2121-2.07628.44320.411-0.4241-0.06990.60110.4090.4639-0.4342-0.05360.02251.60420.00920.2112.24210.9263.3334172.694229.644103.861
844.3237-2.45791.61142.703-0.57452.0983-0.9295-1.6485-0.75441.4630.8312-0.39530.8851.00690.00632.0769-0.37050.73672.0625-0.39672.4492165.689225.719102.095
850.2291-0.13910.42430.4787-1.35173.7565-0.11140.24841.3265-0.32671.11810.73250.1316-0.0696-0.07141.4055-0.3050.20392.1345-0.84752.1354158.184230.67694.576
860.03650.0824-0.13720.2255-0.3480.55510.0333-0.3959-0.0580.2725-0.02690.33940.267-0.39190.26673.2346-2.52522.3844.59710.43921.9307159.792229.325110.182
870.29710.76630.29774.0347-1.3482.51630.3326-0.83030.04871.72752.4799-0.65210.5788-0.1881-0.09041.8152-0.37790.40783.0991-0.53621.8864161.42246.34597.246
886.0319-0.0241-3.6352.31-0.99866.09780.1116-1.1422-0.110.37270.12760.12180.3722-0.16630.5462.47120.14141.25532.3555-0.31271.2976152.705231.856111.482
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:10 )A1 - 10
2X-RAY DIFFRACTION2( CHAIN A AND RESID 11:33 )A11 - 33
3X-RAY DIFFRACTION3( CHAIN A AND RESID 34:45 )A34 - 45
4X-RAY DIFFRACTION4( CHAIN A AND RESID 46:61 )A46 - 61
5X-RAY DIFFRACTION5( CHAIN A AND RESID 62:83 )A62 - 83
6X-RAY DIFFRACTION6( CHAIN A AND RESID 84:98 )A84 - 98
7X-RAY DIFFRACTION7( CHAIN A AND RESID 99:119 )A99 - 119
8X-RAY DIFFRACTION8( CHAIN B AND RESID 5:28 )B5 - 28
9X-RAY DIFFRACTION9( CHAIN B AND RESID 29:36 )B29 - 36
10X-RAY DIFFRACTION10( CHAIN B AND RESID 41:48 )B41 - 48
11X-RAY DIFFRACTION11( CHAIN B AND RESID 49:58 )B49 - 58
12X-RAY DIFFRACTION12( CHAIN B AND RESID 59:63 )B59 - 63
13X-RAY DIFFRACTION13( CHAIN B AND RESID 64:70 )B64 - 70
14X-RAY DIFFRACTION14( CHAIN B AND RESID 71:80 )B71 - 80
15X-RAY DIFFRACTION15( CHAIN B AND RESID 81:92 )B81 - 92
16X-RAY DIFFRACTION16( CHAIN B AND RESID 93:104 )B93 - 104
17X-RAY DIFFRACTION17( CHAIN B AND RESID 108:111 )B108 - 111
18X-RAY DIFFRACTION18( CHAIN H AND RESID 127:128 )H127 - 128
19X-RAY DIFFRACTION19( CHAIN H AND RESID 129:133 )H129 - 133
20X-RAY DIFFRACTION20( CHAIN H AND RESID 134:134 )H134
21X-RAY DIFFRACTION21( CHAIN H AND RESID 144:154 )H144 - 154
22X-RAY DIFFRACTION22( CHAIN H AND RESID 155:159 )H155 - 159
23X-RAY DIFFRACTION23( CHAIN H AND RESID 160:194 )H160 - 194
24X-RAY DIFFRACTION24( CHAIN H AND RESID 195:212 )H195 - 212
25X-RAY DIFFRACTION25( CHAIN H AND RESID 213:219 )H213 - 219
26X-RAY DIFFRACTION26( CHAIN H AND RESID 220:225 )H220 - 225
27X-RAY DIFFRACTION27( CHAIN L AND RESID 114:126 )L114 - 126
28X-RAY DIFFRACTION28( CHAIN L AND RESID 127:133 )L127 - 133
29X-RAY DIFFRACTION29( CHAIN L AND RESID 134:142 )L134 - 142
30X-RAY DIFFRACTION30( CHAIN L AND RESID 143:155 )L143 - 155
31X-RAY DIFFRACTION31( CHAIN L AND RESID 156:163 )L156 - 163
32X-RAY DIFFRACTION32( CHAIN L AND RESID 164:179 )L164 - 179
33X-RAY DIFFRACTION33( CHAIN L AND RESID 180:193 )L180 - 193
34X-RAY DIFFRACTION34( CHAIN L AND RESID 194:209 )L194 - 209
35X-RAY DIFFRACTION35( CHAIN L AND RESID 210:219 )L210 - 219
36X-RAY DIFFRACTION36( CHAIN A AND RESID 124:128 )A124 - 128
37X-RAY DIFFRACTION37( CHAIN A AND RESID 129:140 )A129 - 140
38X-RAY DIFFRACTION38( CHAIN A AND RESID 144:154 )A144 - 154
39X-RAY DIFFRACTION39( CHAIN A AND RESID 155:159 )A155 - 159
40X-RAY DIFFRACTION40( CHAIN A AND RESID 160:184 )A160 - 184
41X-RAY DIFFRACTION41( CHAIN A AND RESID 185:194 )A185 - 194
42X-RAY DIFFRACTION42( CHAIN A AND RESID 195:212 )A195 - 212
43X-RAY DIFFRACTION43( CHAIN A AND RESID 213:219 )A213 - 219
44X-RAY DIFFRACTION44( CHAIN A AND RESID 220:225 )A220 - 225
45X-RAY DIFFRACTION45( CHAIN F AND RESID 11:104 )F11 - 104
46X-RAY DIFFRACTION46( CHAIN F AND RESID 105:284 )F105 - 284
47X-RAY DIFFRACTION47( CHAIN F AND RESID 285:410 )F285 - 410
48X-RAY DIFFRACTION48( CHAIN F AND RESID 411:491 )F411 - 491
49X-RAY DIFFRACTION49( CHAIN B AND RESID 114:126 )B114 - 126
50X-RAY DIFFRACTION50( CHAIN B AND RESID 127:133 )B127 - 133
51X-RAY DIFFRACTION51( CHAIN B AND RESID 134:142 )B134 - 142
52X-RAY DIFFRACTION52( CHAIN B AND RESID 143:155 )B143 - 155
53X-RAY DIFFRACTION53( CHAIN B AND RESID 156:163 )B156 - 163
54X-RAY DIFFRACTION54( CHAIN B AND RESID 164:168 )B164 - 168
55X-RAY DIFFRACTION55( CHAIN B AND RESID 169:179 )B169 - 179
56X-RAY DIFFRACTION56( CHAIN B AND RESID 180:193 )B180 - 193
57X-RAY DIFFRACTION57( CHAIN B AND RESID 194:202 )B194 - 202
58X-RAY DIFFRACTION58( CHAIN B AND RESID 203:209 )B203 - 209
59X-RAY DIFFRACTION59( CHAIN B AND RESID 210:219 )B210 - 219
60X-RAY DIFFRACTION60( CHAIN H AND RESID 1:10 )H1 - 10
61X-RAY DIFFRACTION61( CHAIN H AND RESID 11:17 )H11 - 17
62X-RAY DIFFRACTION62( CHAIN H AND RESID 18:31 )H18 - 31
63X-RAY DIFFRACTION63( CHAIN H AND RESID 35:44 )H35 - 44
64X-RAY DIFFRACTION64( CHAIN H AND RESID 45:51 )H45 - 51
65X-RAY DIFFRACTION65( CHAIN H AND RESID 52:61 )H52 - 61
66X-RAY DIFFRACTION66( CHAIN H AND RESID 62:73 )H62 - 73
67X-RAY DIFFRACTION67( CHAIN H AND RESID 74:83 )H74 - 83
68X-RAY DIFFRACTION68( CHAIN H AND RESID 84:92 )H84 - 92
69X-RAY DIFFRACTION69( CHAIN H AND RESID 93:98 )H93 - 98
70X-RAY DIFFRACTION70( CHAIN H AND RESID 99:108 )H99 - 108
71X-RAY DIFFRACTION71( CHAIN H AND RESID 109:119 )H109 - 119
72X-RAY DIFFRACTION72( CHAIN I AND RESID 11:37 )I11 - 37
73X-RAY DIFFRACTION73( CHAIN I AND RESID 38:104 )I38 - 104
74X-RAY DIFFRACTION74( CHAIN I AND RESID 105:284 )I105 - 284
75X-RAY DIFFRACTION75( CHAIN I AND RESID 285:366 )I285 - 366
76X-RAY DIFFRACTION76( CHAIN I AND RESID 367:493 )I367 - 493
77X-RAY DIFFRACTION77( CHAIN L AND RESID 1:7 )L1 - 7
78X-RAY DIFFRACTION78( CHAIN L AND RESID 8:23 )L8 - 23
79X-RAY DIFFRACTION79( CHAIN L AND RESID 25:31 )L25 - 31
80X-RAY DIFFRACTION80( CHAIN L AND RESID 37:48 )L37 - 48
81X-RAY DIFFRACTION81( CHAIN L AND RESID 49:53 )L49 - 53
82X-RAY DIFFRACTION82( CHAIN L AND RESID 54:58 )L54 - 58
83X-RAY DIFFRACTION83( CHAIN L AND RESID 59:63 )L59 - 63
84X-RAY DIFFRACTION84( CHAIN L AND RESID 64:71 )L64 - 71
85X-RAY DIFFRACTION85( CHAIN L AND RESID 72:80 )L72 - 80
86X-RAY DIFFRACTION86( CHAIN L AND RESID 81:92 )L81 - 92
87X-RAY DIFFRACTION87( CHAIN L AND RESID 96:104 )L96 - 104
88X-RAY DIFFRACTION88( CHAIN L AND RESID 108:111 )L108 - 111

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