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- PDB-6e56: Human antibody H2214 in complex with influenza hemagglutinin A/Ai... -

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Basic information

Entry
Database: PDB / ID: 6.0E+56
TitleHuman antibody H2214 in complex with influenza hemagglutinin A/Aichi/2/1968 (X-31) (H3N2)
Components
  • (antibody H2214 ...) x 2
  • Hemagglutinin
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / influenza antibody / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


immunoglobulin complex / viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / adaptive immune response / 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 ...immunoglobulin complex / viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / adaptive immune response / 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 / extracellular region / membrane / plasma membrane
Similarity search - Function
Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / 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 ...Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / 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 / Immunoglobulin V-Type / Immunoglobulin V-set domain / Ribbon / Immunoglobulin V-set domain / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin subtype / Immunoglobulin / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold / Immunoglobulins / Alpha-Beta Complex / Immunoglobulin-like / Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
ACETATE ION / Hemagglutinin / IGK@ protein
Similarity search - Component
Biological speciesInfluenza A virus
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å
AuthorsMcCarthy, K.R. / Harrison, S.C.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)P01AI089618 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)1U19AI117892-01 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)AI128832 United States
CitationJournal: Cell / Year: 2019
Title: Antibodies to a Conserved Influenza Head Interface Epitope Protect by an IgG Subtype-Dependent Mechanism.
Authors: Watanabe, A. / McCarthy, K.R. / Kuraoka, M. / Schmidt, A.G. / Adachi, Y. / Onodera, T. / Tonouchi, K. / Caradonna, T.M. / Bajic, G. / Song, S. / McGee, C.E. / Sempowski, G.D. / Feng, F. / ...Authors: Watanabe, A. / McCarthy, K.R. / Kuraoka, M. / Schmidt, A.G. / Adachi, Y. / Onodera, T. / Tonouchi, K. / Caradonna, T.M. / Bajic, G. / Song, S. / McGee, C.E. / Sempowski, G.D. / Feng, F. / Urick, P. / Kepler, T.B. / Takahashi, Y. / Harrison, S.C. / Kelsoe, G.
History
DepositionJul 19, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 22, 2019Provider: repository / Type: Initial release
Revision 1.1May 29, 2019Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _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
Revision 1.2Dec 18, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _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 / 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 / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.auth_asym_id / _atom_site.auth_seq_id ..._atom_site.auth_asym_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_entity_id / _chem_comp.name / _chem_comp.type / _pdbx_entity_nonpoly.entity_id / _pdbx_entity_nonpoly.name / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Oct 11, 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
Revision 2.2Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
D: Hemagglutinin
A: Hemagglutinin
H: antibody H2214 heavy chain
G: antibody H2214 heavy chain
I: antibody H2214 light chain, K1642
J: antibody H2214 light chain, K1642
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,03911
Polymers165,0546
Non-polymers9855
Water16,015889
1
D: Hemagglutinin
G: antibody H2214 heavy chain
I: antibody H2214 light chain, K1642
hetero molecules


Theoretical massNumber of molelcules
Total (without water)83,2326
Polymers82,5273
Non-polymers7053
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: Hemagglutinin
H: antibody H2214 heavy chain
J: antibody H2214 light chain, K1642
hetero molecules


Theoretical massNumber of molelcules
Total (without water)82,8075
Polymers82,5273
Non-polymers2802
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)77.550, 98.710, 224.870
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21221

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Components

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Protein , 1 types, 2 molecules DA

#1: Protein Hemagglutinin


Mass: 31993.994 Da / Num. of mol.: 2 / Fragment: head domain (UNP residues 53-335)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/Aichi/2/1968 H3N2 / Gene: HA / Plasmid: pFB / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P03437

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Antibody , 2 types, 4 molecules HGIJ

#2: Antibody antibody H2214 heavy chain


Mass: 26955.842 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IGHV3-23*01 / Plasmid: pVRC / Cell line (production host): 293F / Production host: Homo sapiens (human)
#3: Antibody antibody H2214 light chain, K1642


Mass: 23577.160 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IGKV3-15*01 / Plasmid: pVRC / Cell line (production host): 293F / Production host: Homo sapiens (human) / References: UniProt: Q6PIL8

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Sugars , 2 types, 3 molecules

#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.: 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
#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.: 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 , 2 types, 891 molecules

#6: Chemical ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H3O2
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 889 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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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: 2.75 Å3/Da / Density % sol: 55.25 %
Crystal growTemperature: 291.15 K / Method: vapor diffusion, hanging drop / pH: 5
Details: 100 mM sodium chloride, 100 mM sodium acetate, pH 5.0, 20% w/v PEG2000 MME

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 23, 2018
RadiationMonochromator: single crystal Si(220) side bounce / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2→48.851 Å / Num. obs: 117279 / % possible obs: 99.38 % / Redundancy: 5.6 % / CC1/2: 0.997 / Rmerge(I) obs: 0.1061 / Net I/σ(I): 10.67
Reflection shellResolution: 2→2.072 Å / Redundancy: 5.8 % / Rmerge(I) obs: 0.1214 / Mean I/σ(I) obs: 1.45 / Num. unique obs: 66956 / CC1/2: 0.544 / % possible all: 99.92

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Processing

Software
NameVersionClassification
PHENIX(1.13_2998: ???)refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entries 6B0A, 4FP8, 5Y11, 4YK4

6b0a

4fp8

5y11

4yk4


Resolution: 2→48.851 Å / SU ML: 0.22 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.34
RfactorNum. reflection% reflectionSelection details
Rfree0.2144 5842 5.01 %random selection
Rwork0.1876 ---
obs0.189 116544 99.38 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2→48.851 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11001 0 0 889 11890
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00411282
X-RAY DIFFRACTIONf_angle_d0.65215367
X-RAY DIFFRACTIONf_dihedral_angle_d3.5656683
X-RAY DIFFRACTIONf_chiral_restr0.0471719
X-RAY DIFFRACTIONf_plane_restr0.0051977
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2-2.02270.30411910.29683659X-RAY DIFFRACTION100
2.0227-2.04650.32041700.30623692X-RAY DIFFRACTION100
2.0465-2.07150.32911900.2933630X-RAY DIFFRACTION100
2.0715-2.09770.28772100.28353704X-RAY DIFFRACTION100
2.0977-2.12530.29111780.26423648X-RAY DIFFRACTION100
2.1253-2.15440.25442140.25883680X-RAY DIFFRACTION100
2.1544-2.18520.26922180.25123607X-RAY DIFFRACTION100
2.1852-2.21780.27482160.25763661X-RAY DIFFRACTION100
2.2178-2.25250.30772050.25183629X-RAY DIFFRACTION100
2.2525-2.28940.26691950.24273642X-RAY DIFFRACTION99
2.2894-2.32890.29582130.23893661X-RAY DIFFRACTION100
2.3289-2.37120.24881920.22753659X-RAY DIFFRACTION100
2.3712-2.41680.25731950.22213721X-RAY DIFFRACTION100
2.4168-2.46620.26471880.21323661X-RAY DIFFRACTION100
2.4662-2.51980.24831750.21793701X-RAY DIFFRACTION100
2.5198-2.57840.24982000.20863687X-RAY DIFFRACTION100
2.5784-2.64290.25391860.20573670X-RAY DIFFRACTION100
2.6429-2.71430.23581990.20633700X-RAY DIFFRACTION100
2.7143-2.79420.27322040.20763702X-RAY DIFFRACTION100
2.7942-2.88440.24581900.20833669X-RAY DIFFRACTION99
2.8844-2.98740.25531860.23718X-RAY DIFFRACTION99
2.9874-3.1070.23652150.20253663X-RAY DIFFRACTION99
3.107-3.24840.22311840.18993655X-RAY DIFFRACTION98
3.2484-3.41960.21081990.18293677X-RAY DIFFRACTION99
3.4196-3.63380.17441970.17383693X-RAY DIFFRACTION99
3.6338-3.91430.18722010.15943740X-RAY DIFFRACTION99
3.9143-4.3080.17151910.1463730X-RAY DIFFRACTION99
4.308-4.93080.14891690.12633767X-RAY DIFFRACTION99
4.9308-6.21030.16881820.15113762X-RAY DIFFRACTION98
6.2103-48.86510.1691890.17363914X-RAY DIFFRACTION97
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)
11.98850.05911.04810.42440.33912.7465-0.06810.2954-0.0247-0.22860.0682-0.0006-0.16070.14660.06360.3722-0.0153-0.00350.33590.01170.330526.5461226.2283236.1788
22.3919-1.09310.25692.34930.00371.51630.02890.06780.2246-0.0103-0.0151-0.4014-0.17520.20240.00740.2848-0.0649-0.02040.28560.01460.327435.2647238.5641255.1658
31.0669-0.761-0.33332.44480.21751.09490.0203-0.0609-0.03360.0829-0.019-0.01520.0250.1048-0.00230.2176-0.02290.00360.29240.01710.228331.5805229.844258.6508
43.8572-0.15791.79220.6021-0.37672.8093-0.20750.3114-0.15550.07180.22340.20430.0691-0.05680.02650.46240.025-0.09020.4828-0.03360.443515.0282218.5412226.5751
52.00810.24640.32750.48610.02553.3709-0.010.1589-0.1136-0.25690.03410.2257-0.0473-0.3627-0.00360.3420.0169-0.05070.2713-0.02810.3554-5.6892128.1644252.5756
61.04520.06760.03471.20860.48621.08320.0195-0.093-0.1066-0.0314-0.01880.01190.00540.0082-0.00390.2351-0.00290.00380.26260.02460.26848.2024122.4209270.0506
75.77230.17741.95951.3512-1.38323.3580.04140.5525-0.1439-0.20790.1409-0.07920.2917-0.6679-0.07650.43550.0133-0.12850.5136-0.03660.3436-10.8549131.1883242.0049
82.4870.3354-0.18971.77780.57452.7954-0.32350.25180.741-0.00920.5942-0.039-0.71230.493-0.21160.6043-0.0905-0.07840.7066-0.04930.5276-4.1635138.4912233.8964
94.7437-3.8312-1.15715.15721.90383.2010.59230.13880.2061-0.6198-0.2303-0.0628-0.5263-0.0383-0.31180.3108-0.0244-0.05450.31180.02270.282-12.3424160.1656259.7666
102.245-0.7570.65591.2051-0.59110.96920.01780.02510.1496-0.0756-0.05440.00670.13920.01090.04370.25030.012-0.00810.24810.02940.2549-5.7364153.5011264.1088
112.5684-1.664-0.95962.95870.12332.67030.06120.0297-0.1351-0.0732-0.03630.2803-0.08190.0175-0.01170.2414-0.0252-0.01430.2954-0.0030.3363-12.1724148.5356266.5688
122.4633-1.0769-0.49463.30370.24230.07420.01610.11780.33430.06640.0412-0.20450.032-0.1037-0.03480.27010.0048-0.03410.32760.00430.228-3.9906152.537266.028
130.20320.31520.15361.8876-0.43850.3195-0.03740.04650.0382-0.18730.21370.08990.0312-0.0376-0.1450.282-0.02340.00450.3240.04380.2706-7.8439165.1676263.7473
142.7541.249-0.55974.9491-0.62021.4853-0.15050.1389-0.0121-0.03820.2895-0.2148-0.2265-0.0215-0.06610.376-0.0328-0.00980.35090.02720.3273-5.6398190.7538261.2324
152.03640.69690.36583.66960.72920.5462-0.2443-0.0037-0.0401-0.12390.2979-0.05950.03150.0751-0.06370.3435-0.0099-0.00020.31220.01850.3578-3.9909187.7061263.0687
164.08063.1584-0.10586.9996-0.37992.2514-0.67550.28080.4585-1.20.52660.5759-0.4593-0.16990.160.5563-0.0821-0.10660.38510.06560.3954-9.2636191.7833253.645
174.3971-1.3970.33884.69250.5782.9265-0.1660.9501-0.6467-0.5844-0.14480.20060.4231-0.23160.25370.4663-0.04250.08070.36220.01560.282838.2356194.688236.1093
181.6075-0.56720.7463.29350.23641.2610.02490.14050.0022-0.4435-0.0931-0.15470.12760.17930.09130.36990.02370.06940.36110.01330.288737.3507201.5535243.645
194.6912-0.92470.44622.89730.65451.1172-0.08180.28620.0225-0.4942-0.0303-0.397-0.07470.01640.14540.3473-0.02030.09670.36470.03140.361343.2168206.617240.0341
200.7263-0.5651-0.68843.66920.74941.2536-0.05790.1124-0.07320.004-0.0728-0.1790.09180.11170.07140.27520.00390.01930.34110.00470.279636.3257204.1836247.7305
210.63670.33580.19671.10820.17470.0690.10410.67350.121-1.1503-0.0519-0.9239-0.1561-0.064-0.03360.5568-0.02980.21810.4715-0.05430.504643.1126184.0339235.9246
222.98562.5755-0.9975.9301-0.62971.2963-0.16260.37640.0076-0.42440.3533-0.2183-0.0290.0219-0.17610.3675-0.01860.04960.3798-0.01020.349635.7655165.3921243.4991
234.14062.493-0.73828.7907-0.87371.908-0.25140.969-0.0228-1.53730.68640.0610.1709-0.0736-0.34660.6389-0.02780.00210.7309-0.02370.370932.1431162.8871235.2809
243.61072.03090.97055.59460.08731.9318-0.15410.1003-0.2290.05630.0555-0.41970.02390.28220.12190.29350.031-0.00960.32420.02410.324736.111189.6605266.2088
251.63560.2021-0.18492.6219-0.74371.8845-0.0171-0.04860.02330.1207-0.2593-0.4497-0.12870.27330.20730.3202-0.0134-0.03460.31260.03280.340136.2923199.2963263.7684
262.7304-0.1721-1.13733.4009-1.58641.27940.11090.0667-0.0638-0.19720.05420.26640.09150.014-0.15760.32570.0142-0.0280.319-0.00870.29427.8116197.3914261.815
270.8236-0.0894-0.73552.618-1.65071.7893-0.01490.058-0.1627-0.0196-0.0415-0.1819-0.0882-0.04190.05780.30830.0095-0.02680.3026-0.01740.276334.5025195.9948259.0832
280.39780.2790.3165.6814-1.06140.66850.04610.1077-0.13930.342-0.1583-0.2808-0.0447-0.01390.06790.28530.0062-0.03550.3105-0.00170.353631.4445173.9975265.0534
293.7231-0.0063-0.91432.5907-0.0442.9439-0.17250.7735-0.7534-0.52540.1654-0.11790.38420.0640.05380.4005-0.0150.01310.5572-0.14860.596143.8846157.1037243.2839
303.388-1.0258-1.8341.77841.26852.54860.0163-0.0452-0.0432-0.04720.0967-0.3526-0.15130.1448-0.09640.2912-0.0077-0.03520.3265-0.010.430442.6606164.9346256.3888
317.4424-2.067-0.40951.76770.0121.37640.18690.3615-0.16190.0541-0.1352-0.12540.0832-0.1097-0.08260.2795-0.0265-0.00910.2841-0.02860.373740.8255168.5279255.4334
323.6803-0.5647-0.88331.0902-0.09332.2860.02480.4606-0.5977-0.52160.1379-0.74660.3660.401-0.09770.35530.1060.14150.499-0.16880.749251.9766159.5178245.7487
333.7112-0.977-1.61482.97051.27263.4138-0.0194-0.1685-0.4195-0.12450.1708-0.46350.32230.3117-0.1040.33330.0426-0.02090.31330.00990.52145.737156.5176258.6203
345.48433.565-2.13956.7596-2.11914.8123-0.0532-0.52840.21670.2803-0.1928-0.05220.00480.12770.17860.2630.0579-0.03150.2752-0.02030.244912.2411165.7588277.6072
351.91740.23380.10753.6723-0.66182.28390.1716-0.1625-0.00340.2033-0.16270.08370.02310.092-0.04620.2963-0.00750.00990.3079-0.03250.323710.2836156.2783276.1376
362.89720.6371-1.0252.24781.12711.9369-0.04150.0892-0.0981-0.29240.0423-0.048-0.167-0.1080.0260.2690.0098-0.01970.2825-0.00780.295114.247158.1595268.3122
371.97650.43130.44521.79390.04050.19730.0458-0.11040.2582-0.0839-0.11230.05220.11060.07610.01780.28080.01010.00770.3248-0.02470.284212.0932163.9795268.7514
383.40691.43561.03868.22192.15760.7275-0.2274-0.1205-0.11030.55410.38250.4338-0.07530.0067-0.08520.29840.05170.04220.3598-0.00110.25912.0433153.2758275.8907
390.0722-0.1511-0.02987.09130.66480.06950.0457-0.17040.33840.31070.02470.0833-0.1363-0.0621-0.08140.2921-0.0254-0.00470.341-0.01430.355613.9644181.7199272.8692
406.60180.6150.68143.62810.76033.50.29330.36780.4191-0.1456-0.12550.5128-0.3594-0.5175-0.11590.51630.09110.01530.36560.03670.4354-11.0714197.7359267.5128
416.0983-2.8784-1.912.33671.06230.6669-0.1187-0.2952-0.06240.35740.20670.1296-0.05730.1869-0.06630.35690.01810.06060.35420.06080.3747-0.1796190.7538275.671
422.9458-1.8199-1.78372.49112.47313.943-0.07250.1781-0.15490.25860.00230.2085-0.0584-0.26840.01590.30290.03010.03430.34710.10710.3860.4588187.1741273.8461
434.3159-1.58440.37032.85620.38282.2318-0.3335-0.55260.23970.30280.3540.3375-0.1004-0.31890.00960.43740.09240.10830.41540.05440.4009-5.9077197.8162277.533
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'D' and (resid 40 through 115 )
2X-RAY DIFFRACTION2chain 'D' and (resid 116 through 175 )
3X-RAY DIFFRACTION3chain 'D' and (resid 176 through 265 )
4X-RAY DIFFRACTION4chain 'D' and (resid 266 through 312 )
5X-RAY DIFFRACTION5chain 'A' and (resid 40 through 115 )
6X-RAY DIFFRACTION6chain 'A' and (resid 116 through 265 )
7X-RAY DIFFRACTION7chain 'A' and (resid 266 through 288 )
8X-RAY DIFFRACTION8chain 'A' and (resid 289 through 311 )
9X-RAY DIFFRACTION9chain 'H' and (resid 1 through 17 )
10X-RAY DIFFRACTION10chain 'H' and (resid 18 through 51 )
11X-RAY DIFFRACTION11chain 'H' and (resid 52 through 83 )
12X-RAY DIFFRACTION12chain 'H' and (resid 84 through 109 )
13X-RAY DIFFRACTION13chain 'H' and (resid 110 through 140 )
14X-RAY DIFFRACTION14chain 'H' and (resid 141 through 173 )
15X-RAY DIFFRACTION15chain 'H' and (resid 174 through 204 )
16X-RAY DIFFRACTION16chain 'H' and (resid 205 through 229 )
17X-RAY DIFFRACTION17chain 'G' and (resid 1 through 17 )
18X-RAY DIFFRACTION18chain 'G' and (resid 18 through 51 )
19X-RAY DIFFRACTION19chain 'G' and (resid 52 through 83 )
20X-RAY DIFFRACTION20chain 'G' and (resid 84 through 119 )
21X-RAY DIFFRACTION21chain 'G' and (resid 120 through 135 )
22X-RAY DIFFRACTION22chain 'G' and (resid 136 through 204 )
23X-RAY DIFFRACTION23chain 'G' and (resid 205 through 230 )
24X-RAY DIFFRACTION24chain 'I' and (resid 1 through 18 )
25X-RAY DIFFRACTION25chain 'I' and (resid 19 through 38 )
26X-RAY DIFFRACTION26chain 'I' and (resid 39 through 75 )
27X-RAY DIFFRACTION27chain 'I' and (resid 76 through 103 )
28X-RAY DIFFRACTION28chain 'I' and (resid 104 through 114 )
29X-RAY DIFFRACTION29chain 'I' and (resid 115 through 129 )
30X-RAY DIFFRACTION30chain 'I' and (resid 130 through 151 )
31X-RAY DIFFRACTION31chain 'I' and (resid 152 through 175 )
32X-RAY DIFFRACTION32chain 'I' and (resid 176 through 189 )
33X-RAY DIFFRACTION33chain 'I' and (resid 190 through 212 )
34X-RAY DIFFRACTION34chain 'J' and (resid 1 through 18 )
35X-RAY DIFFRACTION35chain 'J' and (resid 19 through 38 )
36X-RAY DIFFRACTION36chain 'J' and (resid 39 through 75 )
37X-RAY DIFFRACTION37chain 'J' and (resid 76 through 91 )
38X-RAY DIFFRACTION38chain 'J' and (resid 92 through 103 )
39X-RAY DIFFRACTION39chain 'J' and (resid 104 through 114 )
40X-RAY DIFFRACTION40chain 'J' and (resid 115 through 129 )
41X-RAY DIFFRACTION41chain 'J' and (resid 130 through 151 )
42X-RAY DIFFRACTION42chain 'J' and (resid 152 through 175 )
43X-RAY DIFFRACTION43chain 'J' and (resid 176 through 212 )

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