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- PDB-4bh0: H5 (tyTy) Influenza Virus Haemagglutinin in Complex with Human Re... -

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Basic information

Entry
Database: PDB / ID: 4bh0
TitleH5 (tyTy) Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue 6'-SLN
Components(HEMAGGLUTININ) x 2
KeywordsVIRAL PROTEIN / N-GLYCOSYLATION / VIRUS RECEPTOR / BIRD FLU
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; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / 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 ...Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / 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
6'-sialyl-N-acetyllactosamine / PHOSPHATE ION / Hemagglutinin
Similarity search - Component
Biological speciesINFLUENZA VIRUS
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.36 Å
AuthorsXiong, X. / Coombs, P.J. / Martin, S.R. / Liu, J. / Xiao, H. / McCauley, J.W. / Locher, K. / Walker, P.A. / Collins, P.J. / Kawaoka, Y. ...Xiong, X. / Coombs, P.J. / Martin, S.R. / Liu, J. / Xiao, H. / McCauley, J.W. / Locher, K. / Walker, P.A. / Collins, P.J. / Kawaoka, Y. / Skehel, J.J. / Gamblin, S.J.
CitationJournal: Nature / Year: 2013
Title: Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Authors: Xiong, X. / Coombs, P.J. / R Martin, S. / Liu, J. / Xiao, H. / Mccauley, J.W. / Locher, K. / Walker, P.A. / Collins, P.J. / Kawaoka, Y. / Skehel, J.J. / Gamblin, S.J.
History
DepositionMar 29, 2013Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 24, 2013Provider: repository / Type: Initial release
Revision 1.1May 8, 2013Group: Database references
Revision 1.2May 15, 2013Group: Database references
Revision 1.3May 22, 2013Group: Database references
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Other / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / entity_name_com / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_database_status / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_molecule_features / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / 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 / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_database_status.status_code_sf / _pdbx_struct_assembly_gen.asym_id_list / _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_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Oct 23, 2024Group: 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_entry_details / pdbx_modification_feature / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_entry_details.has_protein_modification / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HEMAGGLUTININ
B: HEMAGGLUTININ
C: HEMAGGLUTININ
D: HEMAGGLUTININ
E: HEMAGGLUTININ
F: HEMAGGLUTININ
hetero molecules


Theoretical massNumber of molelcules
Total (without water)171,27317
Polymers168,3146
Non-polymers2,95911
Water12,827712
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area29680 Å2
ΔGint-132.8 kcal/mol
Surface area58080 Å2
MethodPISA
Unit cell
Length a, b, c (Å)70.346, 228.296, 71.267
Angle α, β, γ (deg.)90.00, 114.01, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21C
12A
22E
13C
23E
14B
24D
15B
25F
16D
26F

NCS domain segments:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDRefine codeAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASPASPASNASN6AA1 - 3192 - 320
21ASPASPASNASN6CC1 - 3192 - 320
12ASPASPARGARG6AA1 - 3182 - 319
22ASPASPARGARG6EE1 - 3182 - 319
13ASPASPARGARG6CC1 - 3182 - 319
23ASPASPARGARG6EE1 - 3182 - 319
14ILEILEASNASN4BB10 - 15410 - 154
24ILEILEASNASN4DD10 - 15410 - 154
15ILEILEASNASN4BB10 - 15410 - 154
25ILEILEASNASN4FF10 - 15410 - 154
16ILEILETYRTYR4DD10 - 15710 - 157
26ILEILETYRTYR4FF10 - 15710 - 157

NCS ensembles :
ID
1
2
3
4
5
6

NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2given(-0.392666, -0.008014, 0.919646), (0.716377, 0.624409, 0.311316), (-0.57673, 0.781057, -0.239443)18.89738, -32.09268, 54.58283
3given(1), (1), (1)
4given(-0.376872, 0.715992, -0.587642), (-0.011058, 0.630898, 0.775787), (0.926199, 0.29887, -0.229851)62.13623, -21.84333, 5.12184
5given(1), (1), (1)
6given(-0.394129, -0.001629, 0.919054), (0.719583, 0.621524, 0.30969), (-0.571719, 0.783393, -0.243789)18.89107, -32.58561, 54.79147
7given(1), (1), (1)
8given(-0.366657, -0.015503, 0.930227), (0.728046, 0.617725, 0.297261), (-0.579233, 0.786241, -0.215207)17.44633, -32.48622, 54.28785
9given(1), (1), (1)
10given(-0.386056, 0.721455, -0.574859), (-0.020664, 0.616251, 0.787279), (0.922244, 0.315813, -0.222999)61.89149, -22.39217, 5.54304
11given(1), (1), (1)
12given(-0.406836, 0.001015, 0.913501), (0.718425, 0.618007, 0.31927), (-0.564225, 0.786172, -0.252157)19.24937, -32.75516, 54.81853

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Components

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Protein , 2 types, 6 molecules ACEBDF

#1: Protein HEMAGGLUTININ / HAEMAGGLUTININ HA1


Mass: 36978.715 Da / Num. of mol.: 3
Fragment: HA1 OF TRYPSIN RELEASED ECTODOMAIN, RESIDUES 17-338
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) INFLUENZA VIRUS / Strain: A/TURKEY/TURKEY/1/2005(H5N1) / Plasmid: PACGP67A / Cell line (production host): SF9 / Production host: SPODOPTERA FRUGIPERDA (fall armyworm) / References: UniProt: Q207Z6
#2: Protein HEMAGGLUTININ / HAEMAGGLUTININ HA2


Mass: 19126.004 Da / Num. of mol.: 3
Fragment: HA2 OF TRYPSIN RELEASED ECTODOMAIN, RESIDUES 347-512
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) INFLUENZA VIRUS / Strain: A/TURKEY/TURKEY/1/2005 (H5N1) / Plasmid: PACGP67A / Cell line (production host): SF9 / Production host: SPODOPTERA FRUGIPERDA (fall armyworm) / References: UniProt: Q207Z6

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Sugars , 3 types, 6 molecules

#3: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 471.411 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-6DGalpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a6-b2WURCSPDB2Glycan 1.1.0
[][b-D-Galp]{[(6+2)][a-D-Neup5Ac]{}}LINUCSPDB-CARE
#4: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose / 6'-sialyl-N-acetyllactosamine


Type: oligosaccharide, Oligosaccharide / Class: Glycan component / Mass: 674.604 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: oligosaccharide / References: 6'-sialyl-N-acetyllactosamine
DescriptorTypeProgram
DNeup5Aca2-6DGalpb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{[(6+2)][a-D-Neup5Ac]{}}}LINUCSPDB-CARE
#5: 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.: 3
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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Non-polymers , 2 types, 717 molecules

#6: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: PO4
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 712 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY
Sequence detailsMULTIBASIC SITE REMOVED

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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: 3.11 Å3/Da / Density % sol: 60.46 % / Description: NONE
Crystal growDetails: BIS-TRIS PROPANE PH 7.5, 0.05 - 0.15 M K/NAPO4 (PH 7.0), 15-18% PEG 3350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 10, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9763 Å / Relative weight: 1
ReflectionResolution: 2.36→56.55 Å / Num. obs: 81446 / % possible obs: 97.1 % / Observed criterion σ(I): 2 / Redundancy: 3.1 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 7.9
Reflection shellResolution: 2.36→2.49 Å / Redundancy: 2.6 % / Rmerge(I) obs: 0.6 / Mean I/σ(I) obs: 2 / % possible all: 92.6

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Processing

Software
NameVersionClassification
REFMAC5.7.0032refinement
XDSdata reduction
SCALAdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.36→56.61 Å / Cor.coef. Fo:Fc: 0.931 / Cor.coef. Fo:Fc free: 0.896 / SU B: 14.973 / SU ML: 0.196 / Cross valid method: THROUGHOUT / ESU R: 0.325 / ESU R Free: 0.246 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED
RfactorNum. reflection% reflectionSelection details
Rfree0.25839 4094 5 %RANDOM
Rwork0.21127 ---
obs0.21371 77352 97 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 61.609 Å2
Baniso -1Baniso -2Baniso -3
1--0.25 Å20 Å2-0.83 Å2
2--4.18 Å20 Å2
3----2.55 Å2
Refinement stepCycle: LAST / Resolution: 2.36→56.61 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11019 0 191 712 11922
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.01911476
X-RAY DIFFRACTIONr_bond_other_d0.0010.0210452
X-RAY DIFFRACTIONr_angle_refined_deg1.1541.95115598
X-RAY DIFFRACTIONr_angle_other_deg0.6833.00323983
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.59351394
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.36825.132567
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.266151871
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.7841552
X-RAY DIFFRACTIONr_chiral_restr0.060.21702
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0213165
X-RAY DIFFRACTIONr_gen_planes_other0.0010.022704
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.5031.9975594
X-RAY DIFFRACTIONr_mcbond_other0.5031.9975593
X-RAY DIFFRACTIONr_mcangle_it0.8542.9946982
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it0.7262.1355882
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Dom-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Ens-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
4B2097medium positional0.250.5
5B2105medium positional0.260.5
6D2162medium positional0.260.5
1A4940loose positional0.45
2A4912loose positional0.395
3C4912loose positional0.335
4B2097medium thermal2.922
5B2105medium thermal1.862
6D2162medium thermal2.462
1A4940loose thermal2.0810
2A4912loose thermal2.6510
3C4912loose thermal2.0110
LS refinement shellResolution: 2.36→2.421 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.342 255 -
Rwork0.284 5393 -
obs--90.54 %
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)
10.43162.64510.602516.65193.70481.0936-0.2745-0.11420.3033-1.8105-0.32542.01880.103-0.37250.59991.2464-0.3126-0.12561.1035-0.59880.868511.9885-33.5965-7.6191
21.93670.86730.62432.22041.15352.3867-0.05590.37120.2969-0.17230.01550.1148-0.4706-0.01960.04040.10220.0326-0.00790.14840.06040.118120.405319.325622.742
31.7183-1.6371-1.18193.89363.95034.320.12470.1807-0.28770.4255-0.1770.23420.6428-0.22060.05230.1911-0.0447-0.10840.3228-0.03650.199812.2119-5.7177.9396
41.53124.72811.45317.92087.38885.16-0.18960.4596-0.3897-0.56080.6475-0.43620.3373-0.0805-0.45790.61660.0525-0.220.5299-0.32710.742516.0659-29.0057-2.3268
51.2219-0.15281.1020.0195-0.13681.02030.262-0.3977-0.5052-0.04860.04590.0560.1255-0.5093-0.30791.6791-0.3902-0.56411.8981-0.59331.6184-0.3249-48.5558-13.9871
619.534219.40088.261622.22368.6833.79450.0180.60910.4886-0.7721-0.33691.4397-0.4316-0.08710.31891.09850.00020.04461.2632-0.18160.91384.6574-34.61125.0523
711.38633.98984.87095.75743.50037.31190.15070.16240.2217-0.4451-0.25790.4077-0.0178-0.69010.10720.07860.0268-0.01620.1285-0.010.078127.674-6.508717.9941
85.30347.24735.040511.73197.24366.05690.12870.2628-0.62290.0760.17350.4491.1922-0.2856-0.30221.016-0.3311-0.08040.8322-0.32981.03838.7923-45.7558-1.6071
91.92471.319-0.03943.51361.43951.6752-0.07720.1168-0.68810.16620.075-0.45270.60060.18310.00220.28860.09770.0220.1745-0.05080.283148.7302-21.828316.4168
101.3733-0.36720.86192.0199-0.28372.8655-0.1548-0.32580.1767-0.1230.1386-0.1379-0.44410.13170.01620.0864-0.02420.01260.2369-0.06560.093754.290912.838726.4091
110.68142.1413-0.17277.7788-1.07542.0588-0.0860.2019-0.2106-0.12510.1994-0.14160.42720.3358-0.11340.16410.00730.10890.3535-0.17470.403649.3876-20.536813.8434
123.29095.10251.17414.97443.73530.9844-0.74870.5724-0.5894-0.75310.8027-0.11480.00560.1853-0.0540.8077-0.11020.10880.3101-0.18320.548237.2914-37.80311.6348
138.9854-3.9697-6.63781.78522.87015.3694-0.61880.93990.10540.622-0.17730.06130.7891-0.00810.79611.4676-0.48170.78331.9636-0.54392.167234.0327-63.4728-5.9901
142.0529-0.23090.30880.1581-0.34240.7687-0.57470.2323-0.6324-0.07160.3584-0.06670.2942-0.76260.21621.2301-0.08640.10261.2408-0.26930.970632.1228-42.2856-2.4613
151.58582.42840.950513.96537.14254.6985-0.13330.5548-0.6179-0.27560.3302-0.42320.52760.0586-0.19680.493-0.030.03470.2585-0.21640.377130.0328-31.504914.241
160.22330.37180.29510.65990.54810.4749-0.17930.1743-0.1364-0.20760.1022-0.0244-0.0447-0.1080.07712.1957-0.63190.45051.6742-0.98531.668423.8341-68.5565-13.3225
170.93651.85641.1716.31933.57452.21050.08650.014-0.12320.3458-0.34570.60390.4917-0.30980.25920.6994-0.26560.15590.2421-0.07680.377315.7201-28.926938.7412
182.62910.39140.43663.99970.55080.374-0.1596-0.2344-0.20130.3190.1511-0.12380.33070.02060.00850.44640.07390.08280.10340.01410.033932.024-3.808450.7226
192.3717-0.4498-0.4781.20420.50852.2954-0.0808-0.21950.05920.14930.1121-0.07150.09380.3547-0.03130.0260.0115-0.00950.1057-0.0230.011534.25286.0552.4562
201.95612.70652.96646.03723.92845.54090.10920.0939-0.43650.29510.0785-0.05740.6577-0.1443-0.18780.4996-0.1560.20930.1978-0.13920.509316.0288-30.577635.4413
215.19535.48411.17296.3961.06350.99250.14460.4814-0.12080.61190.309-0.66820.23640.6423-0.45351.1381-0.0056-0.01540.5749-0.32711.407512.8025-60.246521.0152
222.62312.574-0.026817.71720.34594.63560.1219-0.0187-0.50430.4032-0.33130.16770.547-0.19830.20940.0763-0.0120.01370.15820.00580.137424.36-13.218428.3837
231.11894.46871.049918.48974.20161.1603-0.09580.1209-0.3163-0.35920.3191-0.56850.30030.0803-0.22320.8887-0.16450.16510.2736-0.17690.877215.4069-48.58613.4543
242.28343.01-3.691618.03571.567412.49220.198-0.28960.2337-0.40030.2563-1.04860.26240.5707-0.45430.69470.00270.06590.2428-0.14910.721111.8856-77.768212.939
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A-1 - 39
2X-RAY DIFFRACTION2A40 - 255
3X-RAY DIFFRACTION3A256 - 305
4X-RAY DIFFRACTION4A306 - 321
5X-RAY DIFFRACTION5B1 - 37
6X-RAY DIFFRACTION6B38 - 59
7X-RAY DIFFRACTION7B60 - 82
8X-RAY DIFFRACTION8B83 - 162
9X-RAY DIFFRACTION9C-1 - 104
10X-RAY DIFFRACTION10C105 - 257
11X-RAY DIFFRACTION11C258 - 300
12X-RAY DIFFRACTION12C301 - 321
13X-RAY DIFFRACTION13D1 - 31
14X-RAY DIFFRACTION14D32 - 61
15X-RAY DIFFRACTION15D62 - 124
16X-RAY DIFFRACTION16D125 - 157
17X-RAY DIFFRACTION17E-1 - 85
18X-RAY DIFFRACTION18E86 - 123
19X-RAY DIFFRACTION19E124 - 267
20X-RAY DIFFRACTION20E268 - 321
21X-RAY DIFFRACTION21F1 - 57
22X-RAY DIFFRACTION22F58 - 83
23X-RAY DIFFRACTION23F84 - 136
24X-RAY DIFFRACTION24F137 - 157

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