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- PDB-5vtq: Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza viru... -

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Basic information

Entry
Database: PDB / ID: 5vtq
TitleCrystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225L/L226S mutant in complex with 3'-SLN
Components(Hemagglutinin ...) x 2
KeywordsVIRAL PROTEIN / Influenza A virus / hemagglutinin / mutant / receptor binding
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 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 / Alpha-Beta Complex / Alpha Beta
Similarity search - Domain/homology
3'-sialyl-N-acetyllactosamine / Hemagglutinin
Similarity search - Component
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.95 Å
AuthorsWu, N.C. / Wilson, I.A.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R56 AI117675 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R01 AI114730 United States
CitationJournal: Cell Host Microbe / Year: 2017
Title: Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin.
Authors: Wu, N.C. / Xie, J. / Zheng, T. / Nycholat, C.M. / Grande, G. / Paulson, J.C. / Lerner, R.A. / Wilson, I.A.
History
DepositionMay 17, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 28, 2017Provider: repository / Type: Initial release
Revision 1.1Jul 5, 2017Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Jul 26, 2017Group: Author supporting evidence / Database references / Category: citation / citation_author / pdbx_audit_support
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _pdbx_audit_support.funding_organization
Revision 1.3Nov 22, 2017Group: Refinement description / Category: software
Revision 1.4Dec 11, 2019Group: Author supporting evidence / Data collection / Category: chem_comp / pdbx_audit_support
Item: _chem_comp.type / _pdbx_audit_support.funding_organization
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 / entity_name_com / 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_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 / _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.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 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / 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 / _struct_conn.pdbx_leaving_atom_flag / _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 HA1 chain
B: Hemagglutinin HA2 chain
C: Hemagglutinin HA1 chain
D: Hemagglutinin HA2 chain
E: Hemagglutinin HA1 chain
F: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)173,22120
Polymers166,7346
Non-polymers6,48714
Water86548
1
A: Hemagglutinin HA1 chain
B: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,9097
Polymers55,5782
Non-polymers2,3315
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8490 Å2
ΔGint-7 kcal/mol
Surface area24870 Å2
MethodPISA
2
C: Hemagglutinin HA1 chain
D: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,5037
Polymers55,5782
Non-polymers1,9255
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7960 Å2
ΔGint-13 kcal/mol
Surface area23900 Å2
MethodPISA
3
E: Hemagglutinin HA1 chain
F: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,8096
Polymers55,5782
Non-polymers2,2314
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8580 Å2
ΔGint-9 kcal/mol
Surface area24090 Å2
MethodPISA
4


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area41580 Å2
ΔGint-53 kcal/mol
Surface area56320 Å2
MethodPISA
Unit cell
Length a, b, c (Å)209.960, 131.235, 72.250
Angle α, β, γ (deg.)90.00, 98.62, 90.00
Int Tables number5
Space group name H-MC121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21C
12A
22E
13B
23D
14B
24F
15C
25E
16D
26F

NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11PROPROPROPROAA9 - 3243 - 318
21PROPROPROPROCC9 - 3243 - 318
12PROPROPROPROAA9 - 3243 - 318
22PROPROPROPROEE9 - 3243 - 318
13GLYGLYARGARGBB1 - 1701 - 170
23GLYGLYARGARGDD1 - 1701 - 170
14GLYGLYARGARGBB1 - 1701 - 170
24GLYGLYARGARGFF1 - 1701 - 170
15PROPROGLUGLUCC9 - 3253 - 319
25PROPROGLUGLUEE9 - 3253 - 319
16GLYGLYPHEPHEDD1 - 1711 - 171
26GLYGLYPHEPHEFF1 - 1711 - 171

NCS ensembles :
ID
6
1
2
3
4
5

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Components

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Hemagglutinin ... , 2 types, 6 molecules ACEBDF

#1: Protein Hemagglutinin HA1 chain


Mass: 35536.973 Da / Num. of mol.: 3 / Mutation: G225L/L226S
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: Trichoplusia ni (cabbage looper) / References: UniProt: Q91MA7
#2: Protein Hemagglutinin HA2 chain


Mass: 20041.131 Da / Num. of mol.: 3
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: Trichoplusia ni (cabbage looper) / References: UniProt: Q91MA7

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Sugars , 6 types, 14 molecules

#3: 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.: 4
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
#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.: 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
#5: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose / 3'-sialyl-N-acetyllactosamine


Type: oligosaccharide, Oligosaccharide / Class: Substrate analog / Mass: 674.604 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: oligosaccharide / References: 3'-sialyl-N-acetyllactosamine
DescriptorTypeProgram
DNeup5Aca2-3DGalpb1-4DGlcpNAcb1-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_b3-c2WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{}}}LINUCSPDB-CARE
#6: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 471.411 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-3DGalpb1-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/a3-b2WURCSPDB2Glycan 1.1.0
[][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{}}LINUCSPDB-CARE
#7: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


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


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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Non-polymers , 1 types, 48 molecules

#9: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 48 / Source method: isolated from a natural source / Formula: H2O

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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: 2.95 Å3/Da / Density % sol: 58.32 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.1 M sodium cacodylate pH 6.5, 5% PEG 8000, and 38% 2-methyl-2,4-pentanediol
Temp details: 6.5

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0331 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 15, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0331 Å / Relative weight: 1
ReflectionResolution: 2.95→50 Å / Num. obs: 41818 / % possible obs: 99 % / Redundancy: 4.2 % / CC1/2: 0.98 / Rpim(I) all: 0.09 / Rsym value: 0.17 / Net I/σ(I): 7.7
Reflection shellResolution: 2.95→3.05 Å / Redundancy: 3.3 % / Mean I/σ(I) obs: 1.4 / Num. unique obs: 3661 / CC1/2: 0.58 / Rpim(I) all: 0.37 / Rsym value: 0.61 / % possible all: 95.2

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Processing

Software
NameVersionClassification
REFMAC5.8.0155refinement
HKL-2000712data scaling
PHASER2.5.6phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4FNK

4fnk


Resolution: 2.95→50 Å / Cor.coef. Fo:Fc: 0.927 / Cor.coef. Fo:Fc free: 0.908 / SU B: 38.359 / SU ML: 0.324 / Cross valid method: THROUGHOUT / ESU R Free: 0.373 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.22776 2104 5 %RANDOM
Rwork0.20176 ---
obs0.20305 39714 96.88 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso mean: 60.87 Å2
Baniso -1Baniso -2Baniso -3
1-1.32 Å2-0 Å2-0.28 Å2
2---1.04 Å2-0 Å2
3----0.19 Å2
Refinement stepCycle: 1 / Resolution: 2.95→50 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11526 0 431 48 12005
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0080.01912246
X-RAY DIFFRACTIONr_bond_other_d0.0010.0211209
X-RAY DIFFRACTIONr_angle_refined_deg1.2821.97816652
X-RAY DIFFRACTIONr_angle_other_deg0.877325885
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.86651463
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.28824.757576
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.22151977
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.8371570
X-RAY DIFFRACTIONr_chiral_restr0.070.21893
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0213748
X-RAY DIFFRACTIONr_gen_planes_other0.0010.022800
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_it0.5643.2415870
X-RAY DIFFRACTIONr_mcbond_other0.5633.2415869
X-RAY DIFFRACTIONr_mcangle_it0.9984.867327
X-RAY DIFFRACTIONr_mcangle_other0.9984.867328
X-RAY DIFFRACTIONr_scbond_it1.0493.5846375
X-RAY DIFFRACTIONr_scbond_other1.0493.5846375
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other1.7965.3589326
X-RAY DIFFRACTIONr_long_range_B_refined4.14763.53148510
X-RAY DIFFRACTIONr_long_range_B_other4.14663.5348507
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A200900.06
12C200900.06
21A201020.06
22E201020.06
31B107380.05
32D107380.05
41B106700.06
42F106700.06
51C200140.06
52E200140.06
61D107820.05
62F107820.05
LS refinement shellResolution: 2.896→2.971 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.34 100 -
Rwork0.312 2054 -
obs--68.42 %
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)
10.78630.11730.02982.44390.45220.3845-0.0471-0.2516-0.12380.1551-0.0098-0.15670.1153-0.14890.05690.2088-0.02320.01330.38860.05350.0632-23.875310.152730.7786
24.148-0.4776-0.9552.38260.7633.0029-0.1710.252-0.98230.0702-0.18720.40550.2482-0.20270.35820.3027-0.12620.01780.2669-0.00930.2923-33.1681-15.331714.8973
30.6207-0.13670.31344.93010.3030.5086-0.0957-0.31820.15130.18790.0202-0.1652-0.0481-0.21380.07550.14450.02660.00830.4074-0.03190.0633-21.710922.010533.2757
417.311-13.9907-6.291319.54119.54156.95520.97580.09511.5272-1.1571-1.14650.46750.3604-1.37110.17060.74380.0529-0.13980.83230.02460.9863-0.693557.716541.9478
53.91011.58150.89151.26291.72663.6131-0.0053-0.00070.1147-0.16260.2662-0.2457-0.74360.3787-0.2610.47590.1145-0.18270.4629-0.2860.5209-16.769559.807447.7646
63.46192.6111.84738.08776.53398.4083-0.3318-0.04430.16341.09020.05940.68730.47130.19150.27240.46920.10690.04680.4768-0.09190.2504-27.957444.458144.4192
74.85630.9486-1.15580.5115-1.83148.22420.0858-0.210.12630.04470.00230.0434-0.1870.0105-0.08810.2721-0.01790.01730.28680.03350.2553-25.846613.106819.8522
80.4715-0.2936-0.16875.6623.80883.5114-0.1258-0.1830.32580.27840.1845-0.2542-0.10060.0427-0.05870.23250.0922-0.11890.313-0.14880.2356-24.529752.421137.56
912.52490.7787-2.381211.2296-1.86932.53630.182-0.490.70920.6834-0.09730.0788-0.9156-0.1377-0.08470.62850.1319-0.04160.445-0.36570.3192-28.250278.571554.9046
104.41051.8918-1.383123.32174.35016.6480.1508-0.16420.39940.41910.01320.31-0.02540.0077-0.1640.16610.248-0.00470.4167-0.03830.346-48.578964.208240.9693
110.39450.46430.1542.56531.71591.5986-0.14-0.02770.0366-0.0753-0.07180.3610.0814-0.30470.21180.0795-0.037-0.02550.3240.01360.0829-53.730913.82364.6743
121.771-0.53580.43152.89970.62894.0561-0.0382-0.07650.0095-0.1038-0.20020.0930.44740.26820.23840.0913-0.00660.00650.30320.03040.0409-44.8453-4.7423-8.1551
130.8993-0.1995-0.01982.79641.94742.648-0.0761-0.01870.1675-0.1664-0.09610.1564-0.2005-0.32370.17220.0294-0.018-0.04080.30040.04050.1267-50.108217.85962.5895
140.48630.6620.28868.76945.58174.8867-0.1412-0.19690.12140.5945-0.12590.31890.1785-0.17150.26710.19140.0472-0.00230.3653-0.04140.1658-45.947736.963626.2091
151.251-1.1305-0.60474.47762.17733.3768-0.0773-0.20640.13370.0585-0.05170.2604-0.2152-0.25390.1290.1730.18880.01660.2694-0.09670.2212-46.792762.421833.8506
162.5735-6.7447-4.928818.432113.41389.78940.77070.43020.2685-1.4685-0.4923-0.4319-1.0298-0.5373-0.27851.0890.04570.1881.33470.11320.6787-43.817940.008313.6922
170.5862-0.3067-0.16131.72460.95281.2643-0.1697-0.260.2319-0.07040.22270.166-0.1711-0.0301-0.0530.16610.0961-0.04390.3753-0.09050.1881-38.354845.127.05
180.54591.5705-0.58246.79461.59148.03610.1093-0.030.3755-0.1042-0.00620.4855-0.4627-0.1645-0.10310.48680.27880.06840.264-0.26160.9337-42.845784.307937.3196
190.6424-1.3994-0.66714.12842.20142.12020.06040.11360.164-0.44120.0467-0.1478-0.34270.0065-0.10710.1244-0.03110.00650.25710.06850.2193-19.843239.87341.7099
201.4696-0.1248-0.1371.7079-0.57020.9218-0.08990.1023-0.1643-0.04120.08460.07170.308-0.01250.00530.1575-0.04560.0230.2321-0.01430.0238-15.4564-0.4225-8.9442
216.72-1.92217.98284.483-4.552217.50040.1718-0.141-0.0819-0.1839-0.2006-0.00460.458-0.46010.02880.09270.02290.13080.1910.02280.2173-24.333-6.078-3.1017
221.69370.29750.58412.15670.49893.0217-0.22780.06860.03190.05250.10960.23710.0780.04830.11820.1741-0.05810.06240.22730.00250.0497-15.7838-0.6183-3.3813
231.5741-1.1524-0.58874.25223.00912.21620.0386-0.01340.2038-0.15660.0327-0.0783-0.1753-0.0292-0.07130.16990.03530.03810.21660.06040.0865-21.288738.36263.1029
241.05630.3218-0.7055.18690.13852.80490.0075-0.15330.6384-0.20960.3313-0.3956-0.57030.1412-0.33880.277-0.0313-0.02640.1917-0.15680.4697-20.753568.173919.8955
250.0248-0.0658-0.010819.03365.20511.4379-0.1315-0.02-0.03080.43250.2842-0.24260.09980.1279-0.15270.78820.0358-0.05180.6164-0.11230.6429-16.042636.024813.0989
260.62910.0624-0.15410.3785-0.31940.325-0.0826-0.05940.27730.05830.17270.0464-0.1328-0.0709-0.09010.40930.0572-0.02950.3551-0.07420.3518-24.818458.113322.6401
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A9 - 134
2X-RAY DIFFRACTION2A135 - 260
3X-RAY DIFFRACTION3A261 - 324
4X-RAY DIFFRACTION4A325 - 329
5X-RAY DIFFRACTION5B1 - 33
6X-RAY DIFFRACTION6B34 - 58
7X-RAY DIFFRACTION7B59 - 77
8X-RAY DIFFRACTION8B78 - 153
9X-RAY DIFFRACTION9B154 - 172
10X-RAY DIFFRACTION10C9 - 23
11X-RAY DIFFRACTION11C24 - 153
12X-RAY DIFFRACTION12C154 - 238
13X-RAY DIFFRACTION13C239 - 297
14X-RAY DIFFRACTION14C298 - 325
15X-RAY DIFFRACTION15D1 - 54
16X-RAY DIFFRACTION16D55 - 60
17X-RAY DIFFRACTION17D61 - 144
18X-RAY DIFFRACTION18D145 - 171
19X-RAY DIFFRACTION19E9 - 82
20X-RAY DIFFRACTION20E83 - 200
21X-RAY DIFFRACTION21E201 - 222
22X-RAY DIFFRACTION22E223 - 263
23X-RAY DIFFRACTION23E264 - 325
24X-RAY DIFFRACTION24F1 - 54
25X-RAY DIFFRACTION25F55 - 62
26X-RAY DIFFRACTION26F63 - 171

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