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

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Basic information

Entry
Database: PDB / ID: 5vtw
TitleCrystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225M/L226T/S228A mutant in complex with 6'-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
N-acetyl-alpha-neuraminic acid / Hemagglutinin
Similarity search - Component
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.35 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 18, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 28, 2017Provider: repository / Type: Initial release
Revision 1.1Sep 20, 2017Group: Author supporting evidence / Refinement description / Category: pdbx_audit_support / software / Item: _pdbx_audit_support.funding_organization
Revision 1.2Dec 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: Advisory / Atomic model ...Advisory / 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 / pdbx_validate_close_contact / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_atom_id_1 / _pdbx_validate_close_contact.auth_atom_id_2 / _pdbx_validate_close_contact.auth_comp_id_1 / _pdbx_validate_close_contact.auth_comp_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _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)172,88222
Polymers166,7826
Non-polymers6,10016
Water8,665481
1
A: Hemagglutinin HA1 chain
B: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,7227
Polymers55,5942
Non-polymers2,1285
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8010 Å2
ΔGint-10 kcal/mol
Surface area25340 Å2
MethodPISA
2
C: Hemagglutinin HA1 chain
D: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,5197
Polymers55,5942
Non-polymers1,9255
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8360 Å2
ΔGint-10 kcal/mol
Surface area24370 Å2
MethodPISA
3
E: Hemagglutinin HA1 chain
F: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,6418
Polymers55,5942
Non-polymers2,0476
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8060 Å2
ΔGint-16 kcal/mol
Surface area24550 Å2
MethodPISA
4


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area40410 Å2
ΔGint-67 kcal/mol
Surface area58280 Å2
MethodPISA
Unit cell
Length a, b, c (Å)208.650, 131.530, 72.728
Angle α, β, γ (deg.)90.00, 98.05, 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
1
2
3
4
5
6

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Components

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Hemagglutinin ... , 2 types, 6 molecules ACEBDF

#1: Protein Hemagglutinin HA1 chain


Mass: 35553.035 Da / Num. of mol.: 3 / Mutation: G225M/L226T/S228A
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, 15 molecules

#3: 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-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
#4: 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.: 2
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
#5: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 471.411 Da / Num. of mol.: 2
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
#6: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#7: 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.: 6
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
#8: Sugar ChemComp-SIA / N-acetyl-alpha-neuraminic acid / N-acetylneuraminic acid / sialic acid / alpha-sialic acid / O-SIALIC ACID / Sialic acid


Type: D-saccharide, alpha linking / Mass: 309.270 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C11H19NO9
IdentifierTypeProgram
DNeup5AcaCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-a-D-neuraminic acidCOMMON NAMEGMML 1.0
a-D-Neup5AcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
Neu5AcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 2 types, 482 molecules

#9: Chemical ChemComp-TAM / TRIS(HYDROXYETHYL)AMINOMETHANE / Tris


Mass: 163.215 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C7H17NO3 / Comment: pH buffer*YM
#10: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 481 / 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: 2.96 Å3/Da / Density % sol: 58.48 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: 0.1 M sodium cacodylate pH 6.5, 5% PEG 8000, and 38% 2-methyl-2,4-pentanediol

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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: 2.35→50 Å / Num. obs: 79362 / % possible obs: 98.9 % / Redundancy: 5.3 % / CC1/2: 1 / Rpim(I) all: 0.06 / Rsym value: 0.14 / Net I/σ(I): 13.5
Reflection shellResolution: 2.35→2.43 Å / Redundancy: 4.7 % / Mean I/σ(I) obs: 1.3 / Num. unique obs: 7097 / CC1/2: 0.63 / Rpim(I) all: 0.38 / Rsym value: 0.75 / % possible all: 97.4

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Processing

Software
NameVersionClassification
REFMAC5.8.0135refinement
HKL-2000712data scaling
PHASER2.5.6phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4FNK

4fnk


Resolution: 2.35→110.95 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.934 / SU B: 15.287 / SU ML: 0.178 / Cross valid method: THROUGHOUT / ESU R: 0.322 / ESU R Free: 0.208 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.2127 3928 5 %RANDOM
Rwork0.19313 ---
obs0.19411 75414 98.55 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 48.522 Å2
Baniso -1Baniso -2Baniso -3
1--0.46 Å2-0 Å20.07 Å2
2---0.13 Å2-0 Å2
3---0.55 Å2
Refinement stepCycle: 1 / Resolution: 2.35→110.95 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11526 0 403 481 12410
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0090.01912214
X-RAY DIFFRACTIONr_bond_other_d0.0050.0211201
X-RAY DIFFRACTIONr_angle_refined_deg1.441.97416599
X-RAY DIFFRACTIONr_angle_other_deg1.181325847
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.84251463
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.94224.757576
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.631151977
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.0591570
X-RAY DIFFRACTIONr_chiral_restr0.0770.21879
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.0213749
X-RAY DIFFRACTIONr_gen_planes_other0.0030.022802
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_it0.7652.4355871
X-RAY DIFFRACTIONr_mcbond_other0.7652.4345869
X-RAY DIFFRACTIONr_mcangle_it1.3293.6487327
X-RAY DIFFRACTIONr_mcangle_other1.3293.6487328
X-RAY DIFFRACTIONr_scbond_it1.3972.8246342
X-RAY DIFFRACTIONr_scbond_other1.3972.8246342
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other2.2864.1849273
X-RAY DIFFRACTIONr_long_range_B_refined4.79523.98849417
X-RAY DIFFRACTIONr_long_range_B_other4.7623.92449169
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)
11A366960.06
12C366960.06
21A362980.07
22E362980.07
31B176000.08
32D176000.08
41B175880.07
42F175880.07
51C364000.08
52E364000.08
61D180080.06
62F180080.06
LS refinement shellResolution: 2.353→2.414 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.302 286 -
Rwork0.287 5248 -
obs--92.74 %
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)
10.54410.05620.07053.24990.20650.1659-0.0413-0.33710.09630.3540.0268-0.23810.076-0.0580.01450.07130.0002-0.03330.3508-0.03270.0465-18.4959-37.615936.3851
23.1931-0.5864-0.87621.88691.01491.7569-0.03390.0243-0.7489-0.0526-0.17780.22030.2371-0.32040.21160.1237-0.1108-0.00480.23130.04560.205-31.2306-77.48318.2006
31.95350.69160.37152.58670.45140.6457-0.0049-0.2871-0.03470.0908-0.06360.04980.0456-0.2580.06850.0248-0.04120.01020.39110.01520.0184-26.2216-54.85829.0584
49.68340.06910.53380.1211-0.56912.8337-0.2137-0.44230.83040.1072-0.0772-0.0598-0.42280.30830.29090.24770.0144-0.16820.4026-0.18230.448-10.025-13.447339.7261
53.26422.06021.06273.60162.41422.4636-0.0587-0.33090.29910.57140.1369-0.17990.14980.0296-0.07810.26840.1381-0.14430.4581-0.23290.2631-21.2367-11.276846.5401
610.0288-1.9736-5.84931.69782.394212.14-0.2057-0.3945-0.05650.05210.04830.02130.0029-0.01980.15730.062-0.0325-0.04830.12910.05120.0461-25.638-51.419321.6983
70.46850.19870.17566.10384.17963.2547-0.1057-0.23350.26610.14680.0730.0017-0.02630.01150.03270.06670.058-0.07070.3065-0.14190.1716-24.3176-13.286936.8305
89.1571-1.8295-0.33759.3308-1.80295.5633-0.0348-0.6980.6610.63650.12840.0916-0.6498-0.1541-0.09360.35920.1022-0.07220.359-0.3540.3624-27.899114.111555.0205
90.3080.50520.25952.46141.76961.6662-0.0928-0.06640.0672-0.0294-0.1190.42870.0544-0.32190.21180.0436-0.0063-0.03690.45140.01030.2508-53.0616-47.07027.3164
101.7140.39130.33342.6391-0.70214.3731-0.0530.04640.0472-0.0404-0.3489-0.28490.35490.43610.40190.0439-0.0220.01680.34540.09760.1229-44.2355-67.7664-8.875
110.89560.57010.4543.07482.30472.2062-0.066-0.08260.08-0.0979-0.09880.4886-0.13-0.31970.16480.02080.02260.00090.38840.00880.2017-49.8093-33.721717.5091
121.4463-0.3089-0.73992.61161.69953.6042-0.0791-0.30330.32060.0227-0.00650.221-0.2913-0.20390.08560.09470.1523-0.01090.375-0.15630.2745-46.4758-2.316833.776
130.0935-1.6505-1.254231.794924.101618.2717-0.0356-0.01480.059-0.35670.4754-0.5444-0.25760.3584-0.43980.4676-0.0002-0.0580.4406-0.01440.4213-44.3979-26.155512.1171
140.4068-0.5933-0.14333.11050.9660.6273-0.1094-0.18790.05110.10830.16420.2773-0.0012-0.1111-0.05480.04330.01170.00220.365-0.02610.1486-37.7328-32.424522.0805
154.37681.27620.59134.2005-1.34124.3277-0.1407-0.4920.63140.34060.14150.0899-0.4392-0.3151-0.00080.24760.2008-0.04890.3118-0.31570.5252-40.779913.439939.9971
168.53375.41013.04366.89164.92888.2949-0.0554-0.09410.5792-0.06460.16150.26-0.37980.064-0.10610.41180.2433-0.04610.2107-0.19880.558-40.894920.3937.5505
170.8459-1.1626-0.72893.74452.56732.21240.05890.06920.2389-0.40640.0934-0.2017-0.272-0.0284-0.15240.0561-0.01330.00630.16870.08070.1319-19.6006-24.67631.7196
181.4237-0.12390.0361.29110.36411.1657-0.0420.0978-0.22280.0145-0.01040.00330.2762-0.06510.05240.087-0.07340.0210.2037-0.01310.0389-15.5633-65.5796-8.3447
195.04360.3012-1.0453.4756-0.96640.45420.03990.3265-0.0094-0.1891-0.00320.16350.0556-0.0744-0.03670.1844-0.08160.08460.2414-0.02070.2162-27.0865-69.5226-6.3581
202.98530.53370.83270.59220.42962.0875-0.1597-0.0521-0.08590.0025-0.03450.02320.28030.03180.19420.0843-0.04160.04410.16380.0020.0283-15.5987-64.6957-3.2696
211.1414-1.4638-0.74713.42522.18151.59070.01030.06890.2585-0.220.0816-0.1545-0.2234-0.0186-0.09190.05370.00080.01180.18770.0520.1216-21.209-25.84073.0442
221.6889-0.9196-0.16774.20830.27481.1964-0.0251-0.12190.6241-0.45760.2279-0.4999-0.34260.0863-0.20280.1574-0.02760.00890.1622-0.12450.4287-20.35842.849219.8036
230.20742.41251.003535.676314.45935.9862-0.1069-0.03240.13030.9998-0.18141.12910.22990.1410.28830.7597-0.0699-0.03760.6679-0.21130.7165-15.3801-30.901612.5458
240.82750.33270.14672.52430.82750.5382-0.01380.05390.18380.01360.06380.0562-0.0333-0.1592-0.050.02910.00280.00280.28710.02030.0812-29.9497-32.362610.7062
253.8462.22711.56736.53972.41485.567-0.112-0.26310.75160.2190.2038-0.1707-0.6065-0.0278-0.09190.20150.07920.02040.129-0.19040.4957-23.068512.731331.8943
263.80030.29441.3333.91370.93312.52520.3078-0.50980.5951-0.3460.2712-0.4799-0.75190.4137-0.5790.6399-0.20610.05680.2888-0.38910.8452-16.02520.205134.6913
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A9 - 75
2X-RAY DIFFRACTION2A76 - 243
3X-RAY DIFFRACTION3A244 - 314
4X-RAY DIFFRACTION4A315 - 329
5X-RAY DIFFRACTION5B1 - 58
6X-RAY DIFFRACTION6B59 - 75
7X-RAY DIFFRACTION7B76 - 153
8X-RAY DIFFRACTION8B154 - 172
9X-RAY DIFFRACTION9C9 - 158
10X-RAY DIFFRACTION10C159 - 258
11X-RAY DIFFRACTION11C259 - 325
12X-RAY DIFFRACTION12D1 - 55
13X-RAY DIFFRACTION13D56 - 61
14X-RAY DIFFRACTION14D62 - 119
15X-RAY DIFFRACTION15D120 - 149
16X-RAY DIFFRACTION16D150 - 171
17X-RAY DIFFRACTION17E9 - 82
18X-RAY DIFFRACTION18E83 - 207
19X-RAY DIFFRACTION19E208 - 222
20X-RAY DIFFRACTION20E223 - 264
21X-RAY DIFFRACTION21E265 - 325
22X-RAY DIFFRACTION22F1 - 56
23X-RAY DIFFRACTION23F57 - 62
24X-RAY DIFFRACTION24F63 - 112
25X-RAY DIFFRACTION25F113 - 144
26X-RAY DIFFRACTION26F145 - 171

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