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- PDB-4n64: Crystal structure of hemagglutinin from an H7N9 influenza virus i... -

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Basic information

Entry
Database: PDB / ID: 4n64
TitleCrystal structure of hemagglutinin from an H7N9 influenza virus in complex with a biantennary glycan receptor
Components(Hemagglutinin ...) x 2
KeywordsVIRAL PROTEIN / viral envelope protein / hemagglutinin / viral fusion protein
Function / homology
Function and homology information


viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / apical plasma membrane / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / metal ion binding
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
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.7014 Å
AuthorsXu, R. / Wilson, I.A.
CitationJournal: Science / Year: 2013
Title: Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Authors: Xu, R. / de Vries, R.P. / Zhu, X. / Nycholat, C.M. / McBride, R. / Yu, W. / Paulson, J.C. / Wilson, I.A.
History
DepositionOct 11, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 18, 2013Provider: repository / Type: Initial release
Revision 1.1Nov 15, 2017Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software / Item: _pdbx_unobs_or_zero_occ_atoms.label_asym_id
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_struct_special_symmetry / 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 / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_special_symmetry.label_asym_id / _pdbx_unobs_or_zero_occ_atoms.auth_asym_id / _pdbx_unobs_or_zero_occ_atoms.auth_seq_id / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _pdbx_unobs_or_zero_occ_atoms.label_seq_id / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_2 / _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 / _struct_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Sep 20, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin HA1
B: Hemagglutinin HA2
C: Hemagglutinin HA1
D: Hemagglutinin HA2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,3669
Polymers112,1504
Non-polymers2,2165
Water2,486138
1
A: Hemagglutinin HA1
B: Hemagglutinin HA2
hetero molecules

A: Hemagglutinin HA1
B: Hemagglutinin HA2
hetero molecules

A: Hemagglutinin HA1
B: Hemagglutinin HA2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)173,45818
Polymers168,2246
Non-polymers5,23412
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation8_544-z,x-1/2,-y-1/21
crystal symmetry operation11_545y+1/2,-z-1/2,-x1
Buried area31080 Å2
ΔGint-150 kcal/mol
Surface area57120 Å2
MethodPISA
2
C: Hemagglutinin HA1
D: Hemagglutinin HA2
hetero molecules

C: Hemagglutinin HA1
D: Hemagglutinin HA2
hetero molecules

C: Hemagglutinin HA1
D: Hemagglutinin HA2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)169,6399
Polymers168,2246
Non-polymers1,4143
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation5_555z,x,y1
crystal symmetry operation9_555y,z,x1
Buried area30990 Å2
ΔGint-148 kcal/mol
Surface area57710 Å2
MethodPISA
Unit cell
Length a, b, c (Å)153.861, 153.861, 153.861
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number198
Space group name H-MP213
Components on special symmetry positions
IDModelComponents
11A-541-

HOH

21B-317-

HOH

31B-335-

HOH

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Components

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Hemagglutinin ... , 2 types, 4 molecules ACBD

#1: Protein Hemagglutinin HA1


Mass: 34993.559 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/Shanghai/2/2013 / Gene: HA, hemagglutinin / Plasmid: pFastbac-HT / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): Hi5 / References: UniProt: R4NN21
#2: Protein Hemagglutinin HA2


Mass: 21081.207 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/Shanghai/2/2013 / Gene: HA, hemagglutinin / Plasmid: pFastbac-HT / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): Hi5 / References: UniProt: R4NN21

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Sugars , 4 types, 5 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.: 1
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 N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D- ...N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose


Type: oligosaccharide / Mass: 877.796 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-3DGalpb1-4DGlcpNAcb1-3DGalpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/4,4,3/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_b4-c1_c3-d2WURCSPDB2Glycan 1.1.0
[][b-D-GalpNAc]{[(3+1)][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{}}}}LINUCSPDB-CARE
#5: 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
[][D-1-deoxy-Galp]{[(3+2)][a-D-Neup5Ac]{}}LINUCSPDB-CARE
#6: 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.: 2
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, 138 molecules

#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 138 / 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: 2.71 Å3/Da / Density % sol: 54.55 %
Crystal growTemperature: 295.5 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 17-20% PEG3350, 0.2 M ammonium acetate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295.5K

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Data collection

DiffractionMean temperature: 110 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0331 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jun 16, 2013 / Details: K-B pair of biomorph mirrors
RadiationMonochromator: double crystal monochromator and K-B pair of biomorph mirrors for vertical and horizontal focusing
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0331 Å / Relative weight: 1
ReflectionRedundancy: 6.3 % / Number: 209938 / Rmerge(I) obs: 0.112 / Χ2: 1.01 / D res high: 2.7 Å / D res low: 50 Å / Num. obs: 33536 / % possible obs: 100
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
5.815099.810.0571.0146
4.625.8110010.0881.016.2
4.034.6210010.0791.016.3
3.664.0310010.1051.0456.3
3.43.6610010.1411.0546.3
3.23.410010.1811.0946.3
3.043.210010.2581.0266.3
2.913.0410010.3880.9596.3
2.82.9110010.5270.9396.3
2.72.810010.7790.9246.3
ReflectionResolution: 2.7→50 Å / Num. obs: 33536 / % possible obs: 100 % / Rmerge(I) obs: 0.112
Reflection shellResolution: 2.7→2.8 Å / Redundancy: 6.3 % / Rmerge(I) obs: 0.779 / Mean I/σ(I) obs: 2.5 / % possible all: 100

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Phasing

PhasingMethod: molecular replacement
Phasing MRRfactor: 35.77 / Model details: Phaser MODE: MR_AUTO
Highest resolutionLowest resolution
Rotation2.7 Å48.66 Å
Translation2.7 Å48.66 Å

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHASER2.1.4phasing
PHENIX1.8.2_1309refinement
PDB_EXTRACT3.11data extraction
Blu-Icedata collection
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4N5J

4n5j


Resolution: 2.7014→48.655 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.43 / σ(F): 1.35 / Phase error: 27.44 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2736 1695 5.06 %
Rwork0.2263 --
obs0.2286 33504 99.96 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 94.8331 Å2
Refinement stepCycle: LAST / Resolution: 2.7014→48.655 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7600 0 147 138 7885
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0037907
X-RAY DIFFRACTIONf_angle_d0.73410677
X-RAY DIFFRACTIONf_dihedral_angle_d17.1142945
X-RAY DIFFRACTIONf_chiral_restr0.0321174
X-RAY DIFFRACTIONf_plane_restr0.0031400
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7014-2.78090.41571420.32792607X-RAY DIFFRACTION100
2.7809-2.87060.32151610.29172613X-RAY DIFFRACTION100
2.8706-2.97320.35981440.27992611X-RAY DIFFRACTION100
2.9732-3.09220.34661450.26852614X-RAY DIFFRACTION100
3.0922-3.23290.31031230.26912648X-RAY DIFFRACTION100
3.2329-3.40330.34071580.25282625X-RAY DIFFRACTION100
3.4033-3.61650.27961290.2372651X-RAY DIFFRACTION100
3.6165-3.89560.27371560.22082631X-RAY DIFFRACTION100
3.8956-4.28750.25081290.20042664X-RAY DIFFRACTION100
4.2875-4.90740.22871330.18522672X-RAY DIFFRACTION100
4.9074-6.18080.23771520.20332681X-RAY DIFFRACTION100
6.1808-48.6630.22541230.21282792X-RAY DIFFRACTION100
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
14.21311.7281-3.29141.9846-1.55194.58730.35990.27840.71140.04050.07470.4702-0.4789-0.5004-0.46080.27490.0371-0.01170.33930.09130.441618.6475-36.1039-39.247
21.11961.4376-0.97621.7946-1.18170.8532-0.19170.51410.6807-0.43920.7790.75440.3329-0.4656-0.41790.48-0.1939-0.14860.61380.20540.6822-11.7347-72.9691-25.2029
32.82912.0808-1.03924.2288-0.95752.1558-0.03430.03340.2970.10550.19150.03320.71570.1257-0.07850.4375-0.0387-0.06360.4315-0.08270.4148-10.7329-86.8621-14.5885
45.06681.7833-2.2952.84812.31057.1681-0.10820.90871.1976-0.281-0.05950.49990.4838-1.10770.17820.4094-0.1459-0.15150.58920.20140.7749-25.6174-86.567-13.5533
52.71340.0605-2.06352.87580.67524.0468-0.2386-0.1809-0.08710.48720.20480.11341.2590.10250.0880.7742-0.052-0.05870.4036-0.07370.3449-17.0963-93.5314-4.8825
65.3531.4757-1.79541.5249-0.5043.12680.3214-1.27670.3830.5511-0.1138-0.40410.2030.8553-0.26471.02590.2389-0.37520.7182-0.25180.5835-8.2328-92.31410.5529
73.04490.391-2.59390.92090.67554.43150.52360.00680.42420.29070.0836-0.01380.3823-0.1838-0.62090.4891-0.0566-0.00820.3982-0.03430.4902-17.1118-80.9751-4.0489
82.17120.4487-1.24032.315-0.26682.8636-0.39080.2472-0.0469-0.0990.4734-0.4460.88060.166-0.10270.5726-0.0166-0.13740.438-0.13630.4226-7.5684-89.909-14.8738
93.31280.65430.12553.0088-0.30261.2267-0.25020.38510.0118-0.36660.55070.43770.2799-0.562-0.29820.3893-0.1342-0.07760.58490.18690.5228-0.4052-61.5464-29.862
103.86291.6837-1.30183.5047-3.4677.04970.32430.20440.67720.34680.09160.6397-0.8207-0.3689-0.29540.28510.07220.02090.24150.05440.523514.3383-39.3374-35.0322
114.955-0.1276-0.34138.1463-3.7293.9304-0.19880.51640.40280.1360.16870.2101-0.4621-0.3531-0.13770.43640.017-0.10080.33580.16020.47823.129-31.4336-48.7737
122.65252.3925-2.42316.3343-4.00755.2421-0.40810.3072-0.154-0.80440.2838-0.17510.661-0.59290.12480.4821-0.0638-0.08160.44330.03780.304424.5921-40.8035-51.4422
131.38132.1351-0.58595.6408-3.16162.586-0.6650.3834-0.2894-0.80590.1109-0.13410.4347-0.2610.55460.4987-0.09850.00520.59380.02740.57992.7896-66.5605-21.5844
140.76651.1663-1.55521.9173-2.03142.55560.0767-0.2120.0180.0151-0.2013-0.0545-0.10480.33440.14460.314-0.0394-0.02320.45430.08930.331523.6296-45.5661-32.6238
155.17190.26710.05482.73420.50432.83440.05040.66680.1864-0.5726-0.2809-0.1412-0.52670.72730.08750.6426-0.04590.07120.56740.15150.351240.9925-29.3839-61.502
160.21150.2421-0.16420.1183-0.15780.11080.00870.20680.21250.29120.0615-0.9638-0.66120.8861-0.0440.9749-0.647-0.68421.5246-0.50341.6206-11.1287-32.6407-39.4512
173.1792-0.91731.34544.3624-0.05533.7115-0.4725-0.913-0.519-0.2840.88840.2814-0.02240.1817-0.44390.65030.0017-0.32110.90340.07740.7814-32.9273-58.3771-50.8633
180.4290.370.25410.3902-0.10641.1761-0.1098-0.07380.46880.0714-0.1623-0.1667-0.32510.3627-0.60261.4544-1.0434-0.76611.6075-0.52081.6928-6.5092-23.3933-33.9917
190.03130.03510.0020.0644-0.01460.01780.2697-0.51710.66780.2461-0.1933-0.0633-0.3492-0.15390.00931.3498-0.4814-0.47791.8919-0.33042.90339.97436.0974-14.3267
200.11420.1826-0.40430.3178-0.65681.4298-0.24420.03210.296-0.0273-0.101-0.2467-0.10610.10260.14642.0768-0.885-0.71911.8408-0.27982.299412.976-5.2438-18.3546
216.4362.3010.93270.91420.12691.0608-0.10590.3043-0.2078-0.2299-0.24170.16970.3652-0.47080.2391.6701-0.72-0.80432.1844-0.36652.35421.32261.0105-11.2571
220.6929-0.3948-0.97094.11.61395.35790.01350.1135-0.37980.0189-0.13940.04240.2736-0.2068-0.09821.8004-0.5158-1.07531.9468-0.34512.18314.7721-17.7572-14.2924
232.14131.06221.8940.95061.36392.87040.0540.0684-0.38880.04950.2333-0.39540.07820.3943-0.08981.1469-0.329-0.55661.4891-0.36131.484-18.2057-33.9319-35.4351
240.79960.49730.74880.4420.37140.7260.0047-0.4910.62620.4119-0.1613-0.6082-0.59770.6081-0.04461.5747-0.9095-0.8251.7831-0.52471.808-10.4554-14.5056-19.8748
250.5424-0.36280.23996.4852-1.52091.45840.1223-0.66780.25730.5748-0.1253-0.31810.02260.1542-0.05672.6788-0.6604-1.09752.1091-0.44472.189612.01236.5558-0.2528
260.8517-0.0256-0.26750.0533-0.08080.23710.0129-0.0916-0.2534-0.02680.011-0.00430.0921-0.0518-0.0822.1769-0.8998-0.77312.0941-0.7612.507921.22386.6863-0.8899
270.44351.4099-0.15324.5117-0.78342.7862-0.04340.0323-0.30420.13150.0248-0.429-0.0260.2631-0.05791.6832-0.6484-0.72051.7652-0.55352.352224.0098-2.7813-3.9523
280.003-0.0195-0.01930.11340.12070.12570.1315-0.2588-0.01010.1585-0.3520.13270.1583-0.47850.15081.7877-0.5091-1.17061.9021-0.2012.26321.5495-2.94414.8696
292.23011.14040.93292.9794-0.93112.5807-0.2335-0.06370.45170.01230.05260.335-0.3829-0.15950.27471.7216-0.7647-0.84471.9513-0.51142.199820.062911.32948.9707
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 11 through 41 )
2X-RAY DIFFRACTION2chain 'A' and (resid 42 through 99 )
3X-RAY DIFFRACTION3chain 'A' and (resid 100 through 132 )
4X-RAY DIFFRACTION4chain 'A' and (resid 133 through 153 )
5X-RAY DIFFRACTION5chain 'A' and (resid 154 through 195 )
6X-RAY DIFFRACTION6chain 'A' and (resid 196 through 214 )
7X-RAY DIFFRACTION7chain 'A' and (resid 215 through 237 )
8X-RAY DIFFRACTION8chain 'A' and (resid 238 through 269 )
9X-RAY DIFFRACTION9chain 'A' and (resid 270 through 308 )
10X-RAY DIFFRACTION10chain 'A' and (resid 309 through 327 )
11X-RAY DIFFRACTION11chain 'B' and (resid 4 through 22 )
12X-RAY DIFFRACTION12chain 'B' and (resid 23 through 54 )
13X-RAY DIFFRACTION13chain 'B' and (resid 55 through 74 )
14X-RAY DIFFRACTION14chain 'B' and (resid 75 through 137 )
15X-RAY DIFFRACTION15chain 'B' and (resid 138 through 172 )
16X-RAY DIFFRACTION16chain 'C' and (resid 11 through 114 )
17X-RAY DIFFRACTION17chain 'C' and (resid 115 through 269 )
18X-RAY DIFFRACTION18chain 'C' and (resid 270 through 327 )
19X-RAY DIFFRACTION19chain 'D' and (resid 4 through 13 )
20X-RAY DIFFRACTION20chain 'D' and (resid 14 through 22 )
21X-RAY DIFFRACTION21chain 'D' and (resid 23 through 37 )
22X-RAY DIFFRACTION22chain 'D' and (resid 38 through 54 )
23X-RAY DIFFRACTION23chain 'D' and (resid 55 through 74 )
24X-RAY DIFFRACTION24chain 'D' and (resid 75 through 126 )
25X-RAY DIFFRACTION25chain 'D' and (resid 127 through 137 )
26X-RAY DIFFRACTION26chain 'D' and (resid 138 through 145 )
27X-RAY DIFFRACTION27chain 'D' and (resid 146 through 153 )
28X-RAY DIFFRACTION28chain 'D' and (resid 154 through 162 )
29X-RAY DIFFRACTION29chain 'D' and (resid 163 through 172 )

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