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- PDB-4n5k: Crystal structure of hemagglutinin from an H7N9 influenza virus i... -

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Basic information

Entry
Database: PDB / ID: 4n5k
TitleCrystal structure of hemagglutinin from an H7N9 influenza virus in complex with LSTa
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
N-acetyl-alpha-neuraminic acid / Hemagglutinin
Similarity search - Component
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.7053 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 10, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 18, 2013Provider: repository / Type: Initial release
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

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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)113,54610
Polymers111,5154
Non-polymers2,0316
Water50428
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)171,77318
Polymers167,2726
Non-polymers4,50112
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 area36460 Å2
ΔGint-102 kcal/mol
Surface area59450 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)168,86412
Polymers167,2726
Non-polymers1,5916
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation5_555z,x,y1
crystal symmetry operation9_555y,z,x1
Buried area33090 Å2
ΔGint-149 kcal/mol
Surface area58150 Å2
MethodPISA
Unit cell
Length a, b, c (Å)154.698, 154.698, 154.698
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
11B-311-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11chain A
21chain C
12chain B
22chain D

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111chain AA - B11 - 541
211chain CC - D11 - 541
112chain BB4 - 172
212chain DD4 - 172

NCS ensembles :
ID
1
2

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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: 20763.820 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, 6 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.: 1
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 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
#5: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose


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
#6: Sugar ChemComp-SIA / N-acetyl-alpha-neuraminic 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 , 1 types, 28 molecules

#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 28 / 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: 2.77 Å3/Da / Density % sol: 55.54 %
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: SSRL / Beamline: BL12-2 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 2, 2013 / Details: K-B focusing mirrors
RadiationMonochromator: Liquid nitrogen-cooled double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionRedundancy: 5.5 % / Number: 187164 / Rmerge(I) obs: 0.076 / Χ2: 1.05 / D res high: 2.7 Å / D res low: 50 Å / Num. obs: 33887 / % possible obs: 99.8
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
5.815099.110.0371.0815.3
4.625.8199.910.051.0595.7
4.034.6299.710.060.9815.4
3.664.0310010.0911.0685.7
3.43.6699.910.131.0645.3
3.23.499.910.161.0995.5
3.043.299.910.2551.0845.7
2.913.0410010.3851.0335.8
2.82.9199.910.5821.0675.2
2.72.899.910.8630.975.5
ReflectionResolution: 2.7→50 Å / Num. obs: 33887 / % possible obs: 99.8 % / Redundancy: 5.5 % / Rmerge(I) obs: 0.076

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Phasing

PhasingMethod: molecular replacement
Phasing MRRfactor: 39.31 / Model details: Phaser MODE: MR_AUTO
Highest resolutionLowest resolution
Rotation2.75 Å48.92 Å
Translation2.75 Å48.92 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 / Resolution: 2.7053→48.92 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.41 / σ(F): 0 / Phase error: 30.67 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2761 1718 5.07 %
Rwork0.227 --
obs0.2296 33861 99.81 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 121.5868 Å2
Refinement stepCycle: LAST / Resolution: 2.7053→48.92 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7600 0 132 28 7760
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0037891
X-RAY DIFFRACTIONf_angle_d0.72210651
X-RAY DIFFRACTIONf_dihedral_angle_d16.0992934
X-RAY DIFFRACTIONf_chiral_restr0.0481168
X-RAY DIFFRACTIONf_plane_restr0.0031399
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDType
11A2994X-RAY DIFFRACTIONTORSIONAL
12C2994X-RAY DIFFRACTIONTORSIONAL
21B1640X-RAY DIFFRACTIONTORSIONAL
22D1640X-RAY DIFFRACTIONTORSIONAL
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7053-2.78490.43021190.36152683X-RAY DIFFRACTION100
2.7849-2.87470.38021460.33152641X-RAY DIFFRACTION100
2.8747-2.97750.3631310.30092668X-RAY DIFFRACTION100
2.9775-3.09670.34261360.28692673X-RAY DIFFRACTION100
3.0967-3.23760.33191370.28942648X-RAY DIFFRACTION100
3.2376-3.40820.29591360.25972657X-RAY DIFFRACTION100
3.4082-3.62170.28251710.24792660X-RAY DIFFRACTION100
3.6217-3.90120.28751390.22972666X-RAY DIFFRACTION100
3.9012-4.29360.26441530.19982675X-RAY DIFFRACTION100
4.2936-4.91440.23491500.18122658X-RAY DIFFRACTION100
4.9144-6.18970.24111510.20272742X-RAY DIFFRACTION100
6.1897-48.92780.25741490.20432772X-RAY DIFFRACTION99
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)
13.79332.9399-3.90186.3442-5.27068.04560.23730.10210.74080.33720.49881.0559-0.4125-0.5675-0.70940.36580.00970.06320.4056-0.02510.6095-2.2002-57.34630.8425
24.26182.8826-2.23772.0179-1.51830.9580.6507-0.48610.56860.326-0.20790.6502-0.25080.2859-0.47210.6948-0.12590.0770.6022-0.11160.757835.8788-28.2678-15.8016
36.47041.1492-0.15551.9633-1.34031.17040.34950.1521-0.40580.4481-0.7664-0.2769-0.70321.46230.46820.6336-0.1963-0.02831.03770.00030.541557.6748-23.3581-23.3059
45.6031.12991.17956.4018-3.30635.81770.45530.4730.24550.4844-0.37840.5813-0.69311.6443-0.04570.6028-0.20950.03081.0404-0.18070.574554.0153-20.1223-28.6983
53.2594-1.06230.28096.5768-3.10943.49960.08471.1688-0.1499-1.11130.3501-0.12560.52171.3182-0.40650.8174-0.0447-0.21861.5021-0.21880.716552.5995-23.3114-40.3855
60.8548-0.63611.55526.6984-5.03516.5504-0.00640.5062-0.040.37390.55010.9544-0.25490.8983-0.4690.548-0.0832-0.14490.9107-0.02780.71543.0803-21.5064-34.8924
72.3409-0.00790.11293.2056-0.65663.76290.50030.3215-0.63770.3596-0.4019-0.07390.38451.0396-0.10580.5254-0.0004-0.16560.9024-0.17330.627351.8276-31.0577-23.882
84.14071.56910.67674.39452.58052.61610.7135-0.57660.0991.4293-0.49320.082-0.67670.1716-0.11450.9641-0.2460.28920.7662-0.14240.865526.1811-32.7121-5.9184
96.32712.0283-1.35354.5537-0.23862.70810.5259-0.11390.6312-0.0746-0.42850.0826-0.31760.5919-0.02590.6335-0.07590.10510.4903-0.06590.708620.9337-43.3842-11.0948
105.64093.1251-3.52595.3857-1.90052.8328-0.15950.61850.86470.02680.69180.5199-0.1335-1.464-0.63050.41290.01880.04660.5812-0.00950.73491.055-53.0535-3.4118
112.754-2.4945-3.32143.43691.97134.96790.05060.19860.02830.7858-0.33650.4270.1671-2.21310.46560.45080.02160.25410.8769-0.10570.8701-12.2734-65.51798.1912
125.16681.373-4.31222.4879-2.17354.90020.1886-0.80550.34690.50230.09850.1281-0.821-0.3027-0.3230.6134-0.02590.19310.8448-0.12130.5185-6.1393-62.721717.1069
139.60223.5429-3.21488.4085-2.97828.01110.0264-1.955-1.04980.4959-1.152-0.9447-0.15590.92940.84470.6538-0.0580.01481.07350.02920.642911.8473-61.51796.7903
144.95524.233-5.05523.9666-4.07565.22520.1626-2.6707-1.26491.0325-1.1476-1.0378-0.37911.01650.59591.0546-0.02890.04361.32490.14491.043727.7732-49.4791-8.6915
154.92250.12310.22664.71252.36589.64540.2030.64670.2747-0.2328-0.34240.1895-0.96010.528-0.07580.8803-0.09120.14040.6501-0.00860.795828.9168-33.4718-25.5189
164.7953.2397-5.4691.6404-3.76016.5443-0.1423-0.0457-0.0105-0.01160.05390.0170.1805-0.02170.16220.6083-0.04020.11230.4968-0.04120.590710.7115-59.2603-9.4502
172.7895-0.32881.62115.4175-0.12824.983-0.1051-0.5176-0.06030.20110.0680.11830.7911-0.64180.08530.6765-0.08490.16910.84330.06710.5529-9.3545-79.64120.881
181.8437-0.0746-0.40582.0150.63251.95570.22230.0872-0.6084-0.18570.48680.67081.2762-0.4441-0.01982.163-1.9835-0.2432.0492-1.3212.2818-34.3474-40.8189-16.5784
190.7665-0.33790.9590.2469-0.43451.2381-0.74480.3492-0.87790.06260.43860.34130.9065-0.98380.02281.5987-0.5413-0.43931.1611-0.5621.9453-1.8401-31.54414.3247
205.4631-0.83420.25823.02451.99035.0270.6768-0.03-0.7157-0.5947-0.3661-0.04221.0648-0.2769-0.28051.3936-0.0359-0.23950.7915-0.20321.252313.7832-15.92099.8706
216.1728-2.0786-0.08314.6273.17845.95020.8981-0.74420.6387-0.5072-0.3342-1.149-0.385-0.2639-0.57870.8841-0.12210.16040.8365-0.29891.060821.6157-3.20714.8673
226.654-2.7875-0.45537.03764.94263.76210.7606-1.07010.2425-0.6562-0.57350.12070.2893-1.2301-0.30480.9063-0.16490.0481.0926-0.35330.982411.1578-3.31217.2108
236.4269-0.3287-0.46653.21610.84955.16570.81190.8130.1512-0.8032-0.2486-0.35490.58770.0748-0.43711.14810.19950.06610.6691-0.14350.895719.1607-10.24643.9681
240.4796-0.0070.06070.0244-0.01070.23240.29010.3858-1.69810.0260.1011.06591.5691.13450.06741.6586-0.3574-0.4111.5152-0.60631.8468-2.8163-32.66523.5137
251.20650.98420.00441.5221-0.59670.5232-0.26820.1008-0.70480.8307-0.64340.22420.3706-0.09290.27541.946-1.3101-0.97751.1175-0.76921.6461-11.1704-27.0046-4.7147
261.36151.7494-0.08862.6411-0.1181.1404-0.33340.7904-0.40730.05680.30070.7241-0.1565-0.58370.45451.4157-1.4628-0.22192.3465-0.99361.9909-30.9949-36.8943-12.0243
270.28920.2760.10330.36940.09850.0487-0.40870.4810.7057-0.94110.61411.4489-0.12970.1165-0.36971.7393-0.3012-0.43251.3843-0.63923.756-44.5386-48.6435-24.0917
280.5227-0.1715-0.53871.22070.22830.6466-0.3494-1.31891.1874-0.31810.32050.3798-0.14841.73130.01712.2572-0.6092-0.31882.4772-0.88382.755-36.9039-56.4915-24.2126
292.5063-0.40050.14711.7389-1.72597.4461-1.1017-0.25220.70380.31280.2526-1.43590.0820.49870.02061.8103-0.4447-0.48071.8944-1.4233.265-20.6721-43.3281-24.0122
304.40012.41252.27843.16871.26595.08490.6869-0.2874-1.81240.3994-0.5114-0.83470.0732-0.71450.09511.4266-0.1486-0.34481.1262-0.50611.6114-4.457-20.2554-2.9599
311.5810.3524-0.03241.2691.38221.2211-0.91630.5584-0.5567-0.43480.07790.69660.804-1.31850.29662.3502-1.7197-0.46482.0375-0.76811.8611-23.9772-28.042-18.5692
323.6443-2.2065-3.93912.8043.074.5741-0.18541.3678-0.2345-0.65580.31610.87850.87-0.18290.47122.8726-0.5358-0.57262.6161-1.50533.2392-44.9129-50.7422-38.2951
330.2387-0.1025-0.12080.7648-0.03860.1144-0.0057-0.14410.38210.09570.0388-0.1244-0.2125-0.0780.00882.7247-1.2481-1.5932.6042-1.36693.6712-45.0609-59.8022-37.6175
340.4775-0.5745-0.65010.75260.65321.2305-0.2283-0.5571-0.5153-0.1812-0.48550.03170.1453-0.20790.37721.8363-0.312-0.52012.3826-1.10053.4441-35.6607-62.7326-34.4509
350.6411-0.76070.39721.20620.05771.1378-1.29930.18850.3158-0.51310.3790.0382-1.32710.27320.23841.9923-0.4982-0.01022.0632-1.69523.8647-35.3867-60.3155-43.3239
363.2807-0.7606-1.11271.44241.50531.6009-0.26960.66410.8691-0.5442-0.27990.9097-0.5520.04390.2512.3297-0.9330.05921.7659-0.64862.4843-49.8194-58.7736-47.4186
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 114 )
3X-RAY DIFFRACTION3chain 'A' and (resid 115 through 132 )
4X-RAY DIFFRACTION4chain 'A' and (resid 133 through 184 )
5X-RAY DIFFRACTION5chain 'A' and (resid 185 through 213 )
6X-RAY DIFFRACTION6chain 'A' and (resid 214 through 237 )
7X-RAY DIFFRACTION7chain 'A' and (resid 238 through 269 )
8X-RAY DIFFRACTION8chain 'A' and (resid 270 through 288 )
9X-RAY DIFFRACTION9chain 'A' and (resid 289 through 308 )
10X-RAY DIFFRACTION10chain 'A' and (resid 309 through 327 )
11X-RAY DIFFRACTION11chain 'B' and (resid 4 through 13 )
12X-RAY DIFFRACTION12chain 'B' and (resid 14 through 37 )
13X-RAY DIFFRACTION13chain 'B' and (resid 38 through 54 )
14X-RAY DIFFRACTION14chain 'B' and (resid 55 through 64 )
15X-RAY DIFFRACTION15chain 'B' and (resid 65 through 74 )
16X-RAY DIFFRACTION16chain 'B' and (resid 75 through 126 )
17X-RAY DIFFRACTION17chain 'B' and (resid 127 through 172 )
18X-RAY DIFFRACTION18chain 'C' and (resid 11 through 41 )
19X-RAY DIFFRACTION19chain 'C' and (resid 42 through 65 )
20X-RAY DIFFRACTION20chain 'C' and (resid 66 through 132 )
21X-RAY DIFFRACTION21chain 'C' and (resid 133 through 213 )
22X-RAY DIFFRACTION22chain 'C' and (resid 214 through 237 )
23X-RAY DIFFRACTION23chain 'C' and (resid 238 through 269 )
24X-RAY DIFFRACTION24chain 'C' and (resid 270 through 288 )
25X-RAY DIFFRACTION25chain 'C' and (resid 289 through 308 )
26X-RAY DIFFRACTION26chain 'C' and (resid 309 through 327 )
27X-RAY DIFFRACTION27chain 'D' and (resid 4 through 13 )
28X-RAY DIFFRACTION28chain 'D' and (resid 14 through 37 )
29X-RAY DIFFRACTION29chain 'D' and (resid 38 through 54 )
30X-RAY DIFFRACTION30chain 'D' and (resid 55 through 74 )
31X-RAY DIFFRACTION31chain 'D' and (resid 75 through 126 )
32X-RAY DIFFRACTION32chain 'D' and (resid 127 through 137 )
33X-RAY DIFFRACTION33chain 'D' and (resid 138 through 145 )
34X-RAY DIFFRACTION34chain 'D' and (resid 146 through 153 )
35X-RAY DIFFRACTION35chain 'D' and (resid 154 through 162 )
36X-RAY DIFFRACTION36chain 'D' and (resid 163 through 172 )

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