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- PDB-3csy: Crystal structure of the trimeric prefusion Ebola virus glycoprot... -

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Basic information

Entry
Database: PDB / ID: 3csy
TitleCrystal structure of the trimeric prefusion Ebola virus glycoprotein in complex with a neutralizing antibody from a human survivor
Components
  • (Envelope glycoprotein ...) x 2
  • Fab KZ52 heavy chain
  • Fab KZ52 light chain
KeywordsIMMUNE SYSTEM/VIRAL PROTEIN / glycoprotein-antibody complex / IMMUNE SYSTEM-VIRAL PROTEIN COMPLEX
Function / homology
Function and homology information


host cell endoplasmic reticulum / viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / suppression by virus of host tetherin activity / host cell cytoplasm / entry receptor-mediated virion attachment to host cell / symbiont entry into host cell / membrane raft / fusion of virus membrane with host endosome membrane / viral envelope ...host cell endoplasmic reticulum / viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / suppression by virus of host tetherin activity / host cell cytoplasm / entry receptor-mediated virion attachment to host cell / symbiont entry into host cell / membrane raft / fusion of virus membrane with host endosome membrane / viral envelope / lipid binding / host cell plasma membrane / virion membrane / extracellular region / identical protein binding / membrane
Similarity search - Function
Filoviruses glycoprotein, extracellular domain / Filoviruses glycoprotein / Filovirus glycoprotein / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Envelope glycoprotein / Envelope glycoprotein
Similarity search - Component
Biological speciesHomo sapiens (human)
Ebola virus - Mayinga
Zaire
1976
MethodX-RAY DIFFRACTION / SYNCHROTRON / phase combination of model phases from an independently solved Fab KZ52, Fab KZ52 selenium anomalous signal / molecular replacement / Resolution: 3.4 Å
AuthorsLee, J.E. / Fusco, M.L. / Hessell, A.J. / Oswald, W.B. / Burton, D.R. / Saphire, E.O.
CitationJournal: Nature / Year: 2008
Title: Structure of the Ebola virus glycoprotein bound to an antibody from a human survivor.
Authors: Lee, J.E. / Fusco, M.L. / Hessell, A.J. / Oswald, W.B. / Burton, D.R. / Saphire, E.O.
History
DepositionApr 10, 2008Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 8, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Non-polymer description / Version format compliance
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / 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_unobs_or_zero_occ_atoms / pdbx_validate_close_contact / struct_asym / struct_conn / struct_ref_seq_dif / 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 / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_unobs_or_zero_occ_atoms.auth_asym_id / _pdbx_unobs_or_zero_occ_atoms.auth_seq_id / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_leaving_atom_flag / _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 / _struct_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Mar 31, 2021Group: Source and taxonomy / Structure summary / Category: chem_comp / entity_src_gen
Item: _chem_comp.pdbx_synonyms / _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id ..._chem_comp.pdbx_synonyms / _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id / _entity_src_gen.pdbx_gene_src_scientific_name / _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_strain
Revision 2.2Oct 20, 2021Group: Database references / Derived calculations / Category: database_2 / struct_ref_seq_dif / struct_sheet
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_sheet.number_strands

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Fab KZ52 heavy chain
B: Fab KZ52 light chain
C: Fab KZ52 heavy chain
D: Fab KZ52 light chain
E: Fab KZ52 heavy chain
F: Fab KZ52 light chain
G: Fab KZ52 heavy chain
H: Fab KZ52 light chain
I: Envelope glycoprotein GP1
J: Envelope glycoprotein GP2
K: Envelope glycoprotein GP1
L: Envelope glycoprotein GP2
M: Envelope glycoprotein GP1
N: Envelope glycoprotein GP2
O: Envelope glycoprotein GP1
P: Envelope glycoprotein GP2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)406,07124
Polymers399,83716
Non-polymers6,2348
Water00
1
A: Fab KZ52 heavy chain
B: Fab KZ52 light chain
C: Fab KZ52 heavy chain
D: Fab KZ52 light chain
E: Fab KZ52 heavy chain
F: Fab KZ52 light chain
I: Envelope glycoprotein GP1
J: Envelope glycoprotein GP2
K: Envelope glycoprotein GP1
L: Envelope glycoprotein GP2
M: Envelope glycoprotein GP1
N: Envelope glycoprotein GP2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)304,41118
Polymers299,87812
Non-polymers4,5336
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area45840 Å2
ΔGint-161 kcal/mol
Surface area97630 Å2
MethodPISA
2
G: Fab KZ52 heavy chain
H: Fab KZ52 light chain
O: Envelope glycoprotein GP1
P: Envelope glycoprotein GP2
hetero molecules

G: Fab KZ52 heavy chain
H: Fab KZ52 light chain
O: Envelope glycoprotein GP1
P: Envelope glycoprotein GP2
hetero molecules

G: Fab KZ52 heavy chain
H: Fab KZ52 light chain
O: Envelope glycoprotein GP1
P: Envelope glycoprotein GP2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)304,97918
Polymers299,87812
Non-polymers5,1026
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_545-y,x-y-1,z1
crystal symmetry operation3_655-x+y+1,-x,z1
Buried area46200 Å2
ΔGint-150 kcal/mol
Surface area96470 Å2
MethodPISA
Unit cell
Length a, b, c (Å)273.710, 273.710, 409.430
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number155
Space group name H-MH32

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Components

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Envelope glycoprotein ... , 2 types, 8 molecules IKMOJLNP

#3: Protein
Envelope glycoprotein GP1


Mass: 37027.480 Da / Num. of mol.: 4 / Fragment: deletion of residues 312-463 / Mutation: T42V, T230V
Source method: isolated from a genetically manipulated source
Details: Weak or discontinuous electron density is observed in the outer regions of the glycoprotein (residues 268-278 and 299-310) and these residues are tentatively assigned
Source: (gene. exp.) Ebola virus - Mayinga, Zaire, 1976 / Strain: Mayinga-76 / Gene: GP / Cell line (production host): HEK293T / Production host: Homo sapiens (human) / References: UniProt: Q05320
#4: Protein
Envelope glycoprotein GP2


Mass: 14779.716 Da / Num. of mol.: 4 / Fragment: deletion of residues 633-676
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Ebola virus - Mayinga, Zaire, 1976 / Strain: Mayinga-76 / Gene: GP / Cell line (production host): HEK293T / Production host: Homo sapiens (human) / References: UniProt: P87666, UniProt: Q05320*PLUS

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Antibody , 2 types, 8 molecules ACEGBDFH

#1: Antibody
Fab KZ52 heavy chain


Mass: 24208.557 Da / Num. of mol.: 4 / Fragment: heavy chain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human)
Description: The antibody was identified from a human survivor of the 1995 Kikwit, Zaire Ebola virus outbreak
Production host: Cricetulus griseus (Chinese hamster) / Strain (production host): CHO-K1
#2: Antibody
Fab KZ52 light chain


Mass: 23943.453 Da / Num. of mol.: 4 / Fragment: light chain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human)
Description: The antibody was identified from a human survivor of the 1995 Kikwit, Zaire Ebola virus outbreak
Production host: Cricetulus griseus (Chinese hamster) / Strain (production host): CHO-K1

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Sugars , 4 types, 8 molecules

#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.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam 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
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}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.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam 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
[][D-1-deoxy-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 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-ROHGlycam 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
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}LINUCSPDB-CARE
#8: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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: 1114.016 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam 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]/1-1-2-3-1-3/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}[(6+1)][a-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: 3.69 Å3/Da / Density % sol: 66.67 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 8.5% (w/v) PEG 10,000, 0.1 M Tris-HCl pH 8.5, 0.4 M sodium acetate, 10% (v/v) PEG 200, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 0.9803 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 23, 2006
RadiationMonochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9803 Å / Relative weight: 1
ReflectionResolution: 3.4→48.37 Å / Num. obs: 151305 / % possible obs: 96.2 % / Redundancy: 4.14 % / Rmerge(I) obs: 0.142 / Χ2: 0.94 / Net I/σ(I): 6.2 / Scaling rejects: 19362
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured allNum. unique allΧ2% possible all
3.4-3.523.580.5681.754223148671.1494.7
3.52-3.663.640.507256023149431.1294.6
3.66-3.833.740.4582.357498148191.194.6
3.83-4.033.860.3892.759051148361.0894.2
4.03-4.283.930.2783.659880147701.0294
4.28-4.613.950.1974.761267150410.9495.6
4.61-5.084.230.157667624154120.9398
5.08-5.814.670.1456.775917157020.8899.8
5.81-7.324.780.1058.977102156620.899.6
7.32-48.374.90.04718.576813152530.6196.8

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassificationNB
d*TREK9.6Ddata scaling
PHASERphasing
DMphasing
PHENIXrefinement
PDB_EXTRACT3.005data extraction
BOSdata collection
d*TREKdata reduction
SHARPphasing
RefinementMethod to determine structure: phase combination of model phases from an independently solved Fab KZ52, Fab KZ52 selenium anomalous signal
Resolution: 3.4→48.369 Å / Cross valid method: THROUGHOUT / σ(F): 0.02 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.302 4405 3 %random
Rwork0.261 ---
obs0.263 146996 93.44 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 65.699 Å2 / ksol: 0.333 e/Å3
Displacement parametersBiso max: 65.22 Å2 / Biso mean: 115.8 Å2 / Biso min: 240.63 Å2
Baniso -1Baniso -2Baniso -3
1-1.338 Å2-0 Å20 Å2
2--1.338 Å20 Å2
3----2.677 Å2
Refine analyzeLuzzati coordinate error obs: 0.58 Å / Luzzati sigma a obs: 0.97 Å
Refinement stepCycle: LAST / Resolution: 3.4→48.369 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23122 0 417 0 23539
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01146668
X-RAY DIFFRACTIONf_angle_d1.183956
X-RAY DIFFRACTIONf_chiral_restr0.063760
X-RAY DIFFRACTIONf_plane_restr0.0057314
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.4-3.4390.4561180.4074557467588
3.439-3.4790.3931290.3924533466289
3.479-3.5220.3831140.384507462190
3.522-3.5660.3571460.3744518466489
3.566-3.6130.3611410.3484592473390
3.613-3.6620.3741310.3524585471689
3.662-3.7150.3871510.3474588473991
3.715-3.770.3481460.3424496464290
3.77-3.8290.4271420.3344610475290
3.829-3.8920.3271590.3144580473990
3.892-3.9590.3161680.3044572474090
3.959-4.0310.321500.2974587473791
4.031-4.1080.331210.2844590471190
4.108-4.1920.2721620.2684669483192
4.192-4.2830.3161640.2624612477692
4.283-4.3830.3441530.2434697485093
4.383-4.4920.2831420.2294760490293
4.492-4.6140.231590.2234771493094
4.614-4.7490.2551420.2234854499695
4.749-4.9030.2621250.2174922504797
4.903-5.0780.2821650.2254996516198
5.078-5.2810.3011300.235005513599
5.281-5.5210.2821460.235055520199
5.521-5.8110.3111510.2315079523099
5.811-6.1750.3261620.2425018518099
6.175-6.650.2981640.2325034519899
6.65-7.3180.2911550.2295046520199
7.318-8.3720.2951450.1974974511998
8.372-10.530.1781790.1554964514398
10.53-48.3740.2771450.2424820496595
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)
1-0.01982.25150.97335.89080.99362.86490.02470.1147-0.16570.1984-0.20640.05660.223-0.09530.00010.6808-0.05620.02160.7412-0.03650.8338128.7742-96.2638-187.508
21.71610.0265-3.31883.1041-2.64854.30390.0697-0.3127-0.2029-0.0543-0.3588-0.19330.25780.331900.8940.0231-0.02540.910.05280.9332181.7777-120.2717-250.0211
33.7947-3.12821.02214.2746-0.50450.65540.14220.1603-0.16250.117-0.09220.16620.26410.071900.931-0.0414-0.09420.9944-0.06140.851396.9607-121.8991-262.471
41.80762.8751-0.26053.8174-1.97732.42650.03580.34050.0905-0.10560.0611-0.3254-0.0041-0.2704-00.85160.0386-0.09591.03270.01550.981389.9914-95.3477-280.9975
52.29441.3069-0.51851.3552.40092.83820.792-1.928-0.87691.1833-1.1964-0.61870.38020.0584-0.00011.5877-0.4572-0.12651.83340.38821.5702124.8446-94.8569-154.6656
60.9392-0.9444-1.53660.5621-0.2180.84790.24680.0415-0.6097-0.052-0.1814-0.49060.67310.4633-01.52930.2971-0.28981.3921-0.06621.7064211.3676-133.5396-258.5579
72.464-1.09240.8851.57090.10731.12720.2517-0.0894-0.61540.418-0.18640.22020.6004-0.351601.3961-0.2041-0.00031.2629-0.17381.17870.8993-136.6581-277.1601
81.35761.48530.38970.5279-1.877-0.48660.16660.4752-0.2237-0.69410.16910.38410.6555-0.88701.6464-0.112-0.36161.8340.07171.495559.3594-106.9302-289.9713
95.58610.4535-1.89982.33932.83324.66430.05680.0891-0.10980.4527-0.39210.84130.3002-0.910600.8795-0.23140.06681.0088-0.15871.1297109.9111-107.6098-185.0618
105.7775-0.98341.16861.4881.30753.9790.2802-0.91260.24510.0965-0.2958-0.51610.34490.7207-01.2359-0.0408-0.09011.24860.06721.0744189.7508-126.0151-230.1693
114.0801-0.22561.32980.91081.98154.59350.50870.6397-0.4618-0.2613-0.01860.02650.47020.3789-0.00011.10910.1608-0.10321.2785-0.14221.1779107.0689-138.6035-272.8723
124.6362-1.46440.27982.9466-0.58220.87820.22720.14340.7186-0.1480.08110.2372-0.3252-0.375-01.14230.05760.04521.12720.17841.185782.3722-78.3071-292.8916
130.3108-0.8568-1.08821.0804-0.59322.16330.6518-1.38920.47110.7806-0.84560.2718-0.1677-0.4722-0.00011.4992-0.41720.24482.0592-0.38431.8116109.5918-91.2436-151.8155
141.37990.09950.80721.9639-0.177-0.01050.34940.4605-0.0580.342-0.0707-0.1706-0.03150.1729-01.30460.1461-0.10221.79050.11471.5524221.7505-126.419-248.6445
151.96721.12411.23173.6914-0.3031.94930.00090.6779-0.30010.0693-0.1917-0.05640.45090.38080.00011.15360.1007-0.14971.6185-0.25841.015774.8678-139.7705-292.2048
160.40741.57420.99671.28710.77430.67640.6306-0.71020.219-0.15060.18771.50510.4848-0.74930.00031.51130.0176-0.00441.91480.60682.218848.968-95.2205-287.4831
17-0.07480.3028-0.22051.07370.50130.29390.37340.5281-1.0332-0.65120.35870.2508-0.37850.0731-00.97780.0841-0.19350.8564-0.01310.901130.4378-118.1736-201.4759
187.5785-7.403-6.59768.81534.64213.22070.7346-2.57964.0332-0.09221.7092-1.2007-1.46190.17890.27731.39480.1875-0.07481.3621-0.0071.239157.6645-129.0919-212.831
190.53920.2485-0.356-0.69632.2316-1.2701-0.3252-0.15980.10210.525-0.0695-0.15840.61890.01430.0011.15110.0095-0.17120.8942-0.00481.2322146.1736-126.0971-204.6469
204.18510.27550.3078-0.249-0.3223-0.2227-0.6386-3.09113.39911.1205-1.04810.34840.4256-0.166-0.09320.760.14870.14530.81540.18350.526126.8402-115.3571-204.9236
210.0884-0.1839-0.13281.3069-0.36270.6601-0.45640.7745-0.6269-0.39340.49370.05040.46870.1713-0.00010.929-0.047-0.12470.9125-0.02340.8935125.1622-129.5889-219.3034
220.4842-0.0192-0.39050.27840.33090.7134-0.1644-0.98990.6585-0.63291.51421.361-0.475-2.114-0.00061.2584-0.08240.13731.00550.08590.9937130.1069-115.4077-228.9853
231.97940.16120.21241.5359-0.886-0.5716-0.4763-0.2575-0.23520.11560.12770.3550.39810.1221-0.00021.0401-0.0488-0.03911.01850.1160.865112.8523-133.1564-243.0679
243.1847-0.88027.15811.7266-2.58321.9943-1.29770.3001-0.3098-0.5987-0.5735-0.6306-3.6973-3.868-0.16391.2237-0.16410.08691.45430.05020.9969112.2417-128.8076-212.9041
25-0.2097-0.1440.156-1.6218-0.40470.08980.92890.24880.49070.66820.10130.2664-0.26480.5027-0.00151.2226-0.07680.08391.23920.05841.2858110.0224-133.2785-227.9412
26-0.2124-0.07670.27510.2517-0.1040.01581.05192.74451.1286-0.5364-0.63470.62220.4012-2.00280.00110.9551-0.2491-0.06241.1729-0.33110.754117.1526-130.8705-248.8089
270.90280.1539-0.30430.3918-0.47190.03450.0496-0.8348-0.1777-0.07890.2853-0.88670.58670.20650.00020.9198-0.1150.06191.0563-0.16231.0937133.6-136.7435-238.2139
280.19680.05990.2430.19620.09740.44410.03881.8305-0.4222-1.7704-0.7944-0.0822-1.169-0.2722-0.00241.1085-0.0327-0.21141.0471-0.05990.943135.2544-119.5401-237.7493
290.990.047-0.08430.2452-2.63580.00630.1002-0.39790.11370.44750.02290.04530.9361-0.15560.00030.9677-0.0774-0.01340.8388-0.16490.9961161.7005-132.3847-237.2762
30-0.25190.04030.08660.23010.09050.0421.25041.94142.5061-0.04441.8836-0.53281.22011.8926-0.0011.5377-0.0004-0.04851.1877-0.21521.0071134.8696-143.0281-250.9134
310.34030.31410.1205-0.5737-1.3613-0.20820.4059-0.3071-1.0449-0.9534-0.7328-0.5048-0.5867-0.26690.00051.3476-0.05330.17040.8875-0.2851.0819149.447-141.0693-245.2065
32-0.02120.03710.29550.133-0.1864-0.11640.1560.2477-0.5655-0.56570.66-0.098-1.29013.27540.00310.7555-0.0116-0.18330.8876-0.1540.8068162.5825-127.1227-233.9961
330.4101-0.016-1.7371.12850.37040.89050.2296-0.8063-0.30730.5144-0.46250.45150.2688-0.80880.00061.04950.1068-0.05570.7995-0.11990.6734146.8818-131.142-221.6408
340.4784-0.00830.17380.30260.07760.20260.7007-0.07740.3111.3976-1.0513-1.3747-1.6317-0.11310.00061.1463-0.0595-0.02821.2741-0.19060.8355141.4699-116.2302-229.006
350.0833-0.10610.0518-0.3373-0.5115-0.24220.39070.333-0.2154-1.04060.0497-0.15530.29830.2673-0.00040.90670.18170.00021.2683-0.22031.3108109.7196-88.5157-297.5957
36-0.0524-0.148-0.08250.06180.03640.2089-1.6682-2.2399-1.2480.4073-0.11411.26091.98970.9308-0.00121.4955-0.1463-0.17221.1695-0.05291.1486136.3162-105.9772-303.685
370.7164-0.78860.3107-0.1607-1.16-0.1229-0.15911.07710.03110.0113-0.07130.41810.2544-0.56780.0011.2076-0.13370.06710.8812-0.07851.3061121.7145-99.2598-302.8852
380.0789-0.4436-0.01190.27730.38440.1117-0.4190.67-1.32482.5630.47963.3109-0.0749-0.9837-0.00240.75620.1429-0.0860.9246-0.21971.0772109.491-83.4144-293.3346
390.070.7237-0.14620.6050.40470.3607-0.08680.8613-0.14130.1043-0.6195-0.1110.29340.328301.1158-0.0369-0.01550.7533-0.0551.0633125.345-73.6442-301.8608
400.1482-0.19310.3625-0.1213-0.00890.3101-0.2934-1.85230.31040.41720.51372.4888-1.611-0.38080.00010.8777-0.1754-0.06461.12060.04581.2645131.3-75.8731-285.4859
413.0588-1.17470.25762.45461.06941.91650.05680.48280.1082-0.27020.3495-0.2016-0.28710.0805-0.00020.8425-0.0018-0.11480.7937-0.07390.8369128.1302-120.0333-209.5926
421.52060.1561-0.66511.6583-0.71394.8983-0.1469-0.3169-0.59210.1036-0.0076-0.37130.5589-0.10670.00010.9299-0.0495-0.02840.80120.08990.963128.6212-137.8083-204.0036
431.81320.0195-2.08121.25830.10731.6576-0.0744-0.4849-0.7832-0.07340.2546-0.010.37820.1019-0.00021.24520.0461-0.00921.02650.19160.993129.8622-142.3969-181.8504
440.82630.33290.52020.2385-0.57941.27561.2091-0.3099-0.1490.8367-2.2747-1.48470.5685-0.1063-0.00211.2962-0.0661-0.01530.5547-0.09991.0387126.1694-146.2603-174.9323
451.7435-0.4635-0.21931.07090.96333.4793-0.3756-0.07920.4586-0.4680.53540.0419-0.32210.1510.00020.8601-0.0819-0.14421.2287-0.00030.8658121.612-132.1937-243.8674
462.77831.31410.59413.5576-0.43751.5590.0849-0.0338-0.60530.3217-0.22930.28160.4927-0.4046-0.00011.194-0.1551-0.03580.9476-0.09410.9243121.0592-149.2132-236.2021
470.87470.19920.23530.27360.81280.2007-0.253-0.5396-0.70230.7846-0.1272-0.11420.2919-0.79340.00031.5143-0.3926-0.22791.4444-0.09761.6521102.986-162.5207-239.7395
480.4354-0.1505-0.2551-0.2010.05940.3393-0.413-0.226-0.83151.1655-0.341.00120.14010.047-0.00121.599-0.0128-0.40481.28510.1811.5072100.5819-171.2033-242.1005
493.62451.9132-0.4570.2324-0.04872.0406-0.02130.31680.89630.39030.0232-0.3057-0.4183-0.34750.00011.0692-0.0715-0.05580.8669-0.15290.8472156.5489-129.0055-231.4226
503.1287-0.1052-0.45863.0189-0.24071.50680.04050.0964-0.3783-0.05030.0509-0.06860.60780.006-0.00011.09240.0617-0.07580.7918-0.07940.951154.8026-146.5762-225.5654
511.4577-0.37420.50841.0121-1.3431.0992-0.21770.1072-0.2624-0.12430.5582-0.52860.57340.0044-0.00021.37710.10670.14260.9585-0.18691.3062170.4866-161.9418-231.3648
520.2519-0.9336-0.01710.256-0.0390.4627-1.05390.72890.3535-0.86391.09630.84951.42730.42080.00151.1825-0.23610.20160.92650.06631.1473176.2528-168.2916-228.1748
533.0215-1.7434-1.19961.5724-0.04760.0738-0.0983-0.4504-0.17820.1420.0621-0.2683-0.2927-0.1786-0.00010.9992-0.12040.04230.8946-0.07341.1904115.514-81.841-296.1242
542.21320.290.21181.5357-0.20212.667-0.04550.48350.2058-0.75780.20450.23970.211-0.171101.0872-0.0235-0.17951.2173-0.00451.1163116.6417-82.5362-314.8001
551.5644-0.31290.2223-0.2530.10790.74050.10890.6325-1.2323-0.85960.0825-0.3829-0.27890.010701.4236-0.016-0.21371.78780.09861.5275100.3207-93.024-326.7007
560.06140.0346-0.1506-0.1791-0.1055-0.0607-0.1149-0.35811.7057-1.22890.74450.72561.1152-1.06150.00190.848-0.00720.07652.16360.17291.214892.084-89.6662-331.4657
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 119
2X-RAY DIFFRACTION2C1 - 119
3X-RAY DIFFRACTION3E1 - 119
4X-RAY DIFFRACTION4G1 - 119
5X-RAY DIFFRACTION5A120 - 228
6X-RAY DIFFRACTION6C120 - 228
7X-RAY DIFFRACTION7E120 - 228
8X-RAY DIFFRACTION8G120 - 228
9X-RAY DIFFRACTION9B1 - 111
10X-RAY DIFFRACTION10D1 - 111
11X-RAY DIFFRACTION11F1 - 111
12X-RAY DIFFRACTION12H1 - 111
13X-RAY DIFFRACTION13B112 - 211
14X-RAY DIFFRACTION14D112 - 211
15X-RAY DIFFRACTION15F112 - 211
16X-RAY DIFFRACTION16H112 - 211
17X-RAY DIFFRACTION17J502 - 520
18X-RAY DIFFRACTION18J523 - 533
19X-RAY DIFFRACTION19J534 - 551
20X-RAY DIFFRACTION20J552 - 564
21X-RAY DIFFRACTION21J565 - 585
22X-RAY DIFFRACTION22J586 - 599
23X-RAY DIFFRACTION23L503 - 522
24X-RAY DIFFRACTION24L525 - 533
25X-RAY DIFFRACTION25L534 - 551
26X-RAY DIFFRACTION26L552 - 564
27X-RAY DIFFRACTION27L565 - 585
28X-RAY DIFFRACTION28L586 - 597
29X-RAY DIFFRACTION29N502 - 521
30X-RAY DIFFRACTION30N524 - 533
31X-RAY DIFFRACTION31N534 - 551
32X-RAY DIFFRACTION32N552 - 564
33X-RAY DIFFRACTION33N565 - 585
34X-RAY DIFFRACTION34N586 - 599
35X-RAY DIFFRACTION35P503 - 521
36X-RAY DIFFRACTION36P525 - 533
37X-RAY DIFFRACTION37P534 - 551
38X-RAY DIFFRACTION38P552 - 564
39X-RAY DIFFRACTION39P565 - 585
40X-RAY DIFFRACTION40P586 - 599
41X-RAY DIFFRACTION41I31 - 88
42X-RAY DIFFRACTION42I89 - 230
43X-RAY DIFFRACTION43I231 - 265
44X-RAY DIFFRACTION44I266 - 310
45X-RAY DIFFRACTION45K31 - 88
46X-RAY DIFFRACTION46K89 - 230
47X-RAY DIFFRACTION47K231 - 265
48X-RAY DIFFRACTION48K266 - 309
49X-RAY DIFFRACTION49M31 - 88
50X-RAY DIFFRACTION50M89 - 230
51X-RAY DIFFRACTION51M231 - 265
52X-RAY DIFFRACTION52M266 - 308
53X-RAY DIFFRACTION53O31 - 88
54X-RAY DIFFRACTION54O89 - 230
55X-RAY DIFFRACTION55O231 - 266
56X-RAY DIFFRACTION56O273 - 308

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