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- PDB-8t1g: The crystal structure of hemagglutinin form a h7n9 influenza viru... -

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Basic information

Entry
Database: PDB / ID: 8t1g
TitleThe crystal structure of hemagglutinin form a h7n9 influenza virus (a/shanghai/1/2013) in complex with antibody 1E11
Components
  • (Hemagglutinin ...) x 2
  • 1E11 Fab Heavy chain
  • 1E11 Fab Light chain
KeywordsIMMUNE SYSTEM/VIRAL PROTEIN / hemagglutinin / influenza / virus / antibody / H7N9 / IMMUNE SYSTEM / IMMUNE SYSTEM-VIRAL PROTEIN complex
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
Similarity search - Function
Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein
Similarity search - Domain/homology
Biological speciesInfluenza A virus
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.5 Å
AuthorsZhou, T. / Kwong, P.D.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) United States
CitationJournal: Structure / Year: 2025
Title: Distinct binding modes drive the broad neutralization profile of two persistent influenza hemagglutinin stem-specific antibody lineages.
Authors: Grace E Mantus / Gabriele Cerutti / Michael Chambers / Rebecca A Gillespie / Geoffrey D Shimberg / Abby Spangler / Jason Gorman / Tongqing Zhou / Chen-Hsiang Shen / Masaru Kanekiyo / Peter D ...Authors: Grace E Mantus / Gabriele Cerutti / Michael Chambers / Rebecca A Gillespie / Geoffrey D Shimberg / Abby Spangler / Jason Gorman / Tongqing Zhou / Chen-Hsiang Shen / Masaru Kanekiyo / Peter D Kwong / Lawrence Shapiro / Sarah F Andrews /
Abstract: Elicitation of antibodies to the influenza hemagglutinin stem is a critical part of universal influenza vaccine strategies. While numerous broadly reactive stem antibodies have been isolated, our ...Elicitation of antibodies to the influenza hemagglutinin stem is a critical part of universal influenza vaccine strategies. While numerous broadly reactive stem antibodies have been isolated, our understanding of how these antibodies mature within the human B cell repertoire is limited. Here, we isolated and tracked two stem-specific antibody lineages over a decade in a single participant that received multiple seasonal and pandemic influenza vaccinations. Despite similar binding and neutralization profiles, antibodies from these lineages utilized fundamentally different interactions to engage the central epitope on the influenza stem. Structural analysis of an unmutated common ancestor from one lineage identified critical residues that were the main drivers of increased affinity and breadth to group 1 influenza subtypes. These observations demonstrate the heterogeneous pathways by which stem-specific antibodies can mature within the human B cell repertoire.
History
DepositionJun 2, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 29, 2024Provider: repository / Type: Initial release
Revision 1.1Oct 9, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification
Revision 1.2Mar 26, 2025Group: 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.pdbx_database_id_DOI / _citation.title / _citation.year
Revision 1.3Apr 2, 2025Group: Database references / Category: citation / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.4May 14, 2025Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first

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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
E: Hemagglutinin HA1
F: Hemagglutinin HA2
G: 1E11 Fab Heavy chain
H: 1E11 Fab Heavy chain
I: 1E11 Fab Light chain
J: 1E11 Fab Heavy chain
K: 1E11 Fab Light chain
L: 1E11 Fab Light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)328,82227
Polymers323,36912
Non-polymers5,45315
Water00
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area58080 Å2
ΔGint-182 kcal/mol
Surface area121410 Å2
MethodPISA
Unit cell
Length a, b, c (Å)303.277, 303.277, 153.461
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number94
Space group name H-MP42212

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Components

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Hemagglutinin ... , 2 types, 6 molecules ACEBDF

#1: Protein Hemagglutinin HA1


Mass: 34993.559 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: H7N9 (A/shanghai/1/2013) / Gene: HA / Cell (production host): HEK 293F / Production host: Homo sapiens (human) / References: UniProt: A0A8E4VRS4
#2: Protein Hemagglutinin HA2


Mass: 24095.545 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: H7N9 (A/shanghai/1/2013) / Gene: HA / Cell (production host): HEK 293F / Production host: Homo sapiens (human) / References: UniProt: A0A8E4VRS4

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Antibody , 2 types, 6 molecules GHJIKL

#3: Antibody 1E11 Fab Heavy chain


Mass: 24538.465 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell (production host): HEK 293F / Production host: Homo sapiens (human)
#4: Antibody 1E11 Fab Light chain


Mass: 24162.018 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell (production host): HEK 293F / Production host: Homo sapiens (human)

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Sugars , 4 types, 12 molecules

#5: 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-ROHGlycam 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
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}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.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam 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
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}LINUCSPDB-CARE
#7: Polysaccharide alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...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: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam 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_c6-d1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}}LINUCSPDB-CARE
#9: 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.: 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

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Non-polymers , 1 types, 3 molecules

#8: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Ca

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Details

Has ligand of interestN
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: 5.46 Å3/Da / Density % sol: 77.46 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 0.1 M HEPES (pH 7.5), 1.08 M sodium citrate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 5, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.5→50 Å / Num. obs: 89938 / % possible obs: 99.9 % / Redundancy: 9.7 % / CC1/2: 0.992 / CC star: 0.998 / Rmerge(I) obs: 0.183 / Rpim(I) all: 0.062 / Rrim(I) all: 0.194 / Χ2: 0.596 / Net I/σ(I): 3.3 / Num. measured all: 868574
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
3.5-3.569.61.64144570.6140.8720.5561.7350.405100
3.56-3.639.41.3544090.7150.9130.4631.4290.412100
3.63-3.698.51.14144550.730.9190.4091.2150.508100
3.69-3.778.70.95544260.7960.9420.3381.0160.41799.9
3.77-3.8510.20.83644480.8670.9640.2740.880.425100
3.85-3.94100.76244640.8640.9630.2530.8040.517100
3.94-4.0410.30.59144540.9310.9820.1930.6220.44100
4.04-4.1510.30.47344430.9470.9860.1540.4980.467100
4.15-4.2710.20.37244610.9620.990.1220.3920.495100
4.27-4.4110.10.29844540.9740.9930.0980.3140.536100
4.41-4.57100.24544580.9810.9950.0810.2580.581100
4.57-4.759.90.21944840.9850.9960.0730.2320.588100
4.75-4.979.70.20644920.9850.9960.0690.2180.62100
4.97-5.239.40.17645010.9890.9970.060.1860.644100
5.23-5.558.30.16244780.9870.9970.0590.1730.64899.8
5.55-5.9810.10.15645240.9920.9980.0520.1650.62100
5.98-6.5810.30.13145360.9930.9980.0430.1380.647100
6.58-7.5310.10.145680.9950.9990.0330.1050.71399.9
7.53-9.489.60.06346210.9980.9990.0210.0670.9599.9
9.48-508.60.05148050.9980.9990.0180.0541.31599.4

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
SCALEPACKdata scaling
HKL-2000data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.5→45.77 Å / SU ML: 0.4 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 19.89 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2152 1978 2.23 %
Rwork0.1817 --
obs0.1824 88663 98.59 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.5→45.77 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms22458 0 354 0 22812
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00423281
X-RAY DIFFRACTIONf_angle_d0.65731565
X-RAY DIFFRACTIONf_dihedral_angle_d18.4983349
X-RAY DIFFRACTIONf_chiral_restr0.0443564
X-RAY DIFFRACTIONf_plane_restr0.0064074
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.5-3.590.28121380.28955956X-RAY DIFFRACTION96
3.59-3.690.27961400.26816025X-RAY DIFFRACTION97
3.69-3.80.27831380.25886033X-RAY DIFFRACTION97
3.8-3.920.30911390.25386070X-RAY DIFFRACTION98
3.92-4.060.27761390.23056134X-RAY DIFFRACTION98
4.06-4.220.23971410.19876126X-RAY DIFFRACTION99
4.22-4.410.19941380.17556177X-RAY DIFFRACTION99
4.41-4.650.23271420.1686205X-RAY DIFFRACTION99
4.65-4.940.161410.15716204X-RAY DIFFRACTION99
4.94-5.320.18851420.1546259X-RAY DIFFRACTION99
5.32-5.850.19551440.16736256X-RAY DIFFRACTION99
5.85-6.690.23021400.17926284X-RAY DIFFRACTION99
6.69-8.430.19571460.17266358X-RAY DIFFRACTION99
8.43-45.770.19131500.14936598X-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)
10.27150.7723-0.56570.71210.0070.8478-0.2139-0.1314-0.09440.51710.1468-0.10870.29060.34220.00021.13640.0654-0.05320.9718-0.09940.9229-102.5942-14.2992-9.0895
20.3783-0.19080.27250.0708-0.16730.16361.3256-0.7064-0.38430.5333-0.8141-0.4424-0.1694-0.4385-01.308-0.00190.01141.1407-0.09931.1718-137.8061-24.851212.0486
30.56160.24320.76080.65260.86241.36210.2454-0.2475-0.0460.05710.0205-0.0957-0.24390.3297-0.00011.1457-0.00780.14280.9168-0.1181.0923-126.7036-21.21967.2004
40.5305-0.58060.33920.5033-0.37140.2397-0.61950.0676-1.02240.71950.6413-1.4199-0.07630.01720.0021.4772-0.08370.03671.2325-0.19931.2266-122.8487-19.284514.9897
50.8343-0.42571.15511.9065-1.10382.35840.05830.1471-0.1425-0.05150.14090.03190.13940.1296-00.93050.0033-0.00231.092-0.03471.0314-101.304215.7329-75.6728
61.5469-0.21191.37511.3572-0.48181.4348-0.08760.3676-0.1041-0.2011-0.1543-0.40380.20010.4514-0.00011.0209-0.06580.17251.28990.01981.0806-94.138939.1547-104.2179
71.043-1.0374-0.09820.7628-0.62051.1257-0.009-0.07290.24880.08440.0744-0.2802-0.11460.351200.96920.1426-0.0341.2528-0.18611.0799-45.1245-25.076-52.2493
80.94090.96760.65141.35310.26480.7456-0.2703-0.25660.2233-0.24980.2119-0.5636-0.1459-0.063601.02590.2310.01281.2283-0.06431.0994-29.4034-52.5017-60.4271
90.4480.3112-0.19140.1972-0.1880.42780.82180.72040.31650.0062-1.6666-0.8034-0.1003-0.97310.00031.32110.19020.11081.4827-0.04441.4254-19.9964-52.9666-59.9723
101.0164-0.8514-0.44780.8139-0.19050.4758-0.0430.1035-0.1249-0.0234-0.1830.34590.1204-0.0598-0.00021.07350.0557-0.00751.1412-0.17191.0738-65.2442-35.5398-60.576
110.46780.73090.12521.16120.05390.7409-0.2464-0.02790.0777-0.20870.0619-0.2624-0.0982-0.0808-00.95750.16730.00181.0909-0.2281.0803-58.0642-33.4694-67.4987
121.68270.18640.47590.8755-0.8511.1683-0.07950.1223-0.2522-0.0023-0.12650.33020.0924-0.2331-0.00050.93290.06550.05661.095-0.17770.9252-58.2166-41.0844-63.6645
130.2618-0.49760.15421.25840.1861.1568-0.1612-0.41370.19190.5094-0.115-0.04670.6681-0.0636-0.00011.10750.17560.09571.18130.08141.1065-34.9752-63.4167-57.3423
141.24250.1495-0.91090.17660.27661.0381-0.4685-0.72220.10880.48130.2979-0.14430.159-0.1686-0.00011.30150.26310.14711.06170.02461.0283-37.3346-64.5962-55.134
150.42130.2518-0.61430.3213-0.50720.921-0.14611.00990.1473-0.07770.25890.17150.52860.5303-0.00031.38670.3020.23251.3114-0.04511.5005-35.0912-72.4752-62.2289
163.26560.7646-1.37420.4842-0.57641.4214-0.0430.1986-0.1704-0.16130.0810.01510.161-0.02030.00011.0531-0.00150.00590.9808-0.09130.9529-112.72-25.0227-22.5421
171.32180.8811-0.62370.5913-0.42031.10850.26570.00230.5063-0.08360.06720.3287-0.3381-0.12140.00011.06130.02560.07890.96780.00441.1188-140.439-17.74711.7854
181.0619-0.04350.7361-0.09470.85831.2641-0.11210.26490.1565-0.25520.06620.0516-0.09260.2551-0.00011.09830.01880.01731.2845-0.06591.0815-76.3886-15.6066-68.4996
190.52240.19690.41620.69520.78420.6985-0.06750.45360.10140.01990.3883-0.12830.06210.341301.08880.095-0.03891.1957-0.18931.0643-95.5879-44.2347-86.6279
200.7006-0.5021.0112.6071-1.4181.11230.020.2621-0.64470.06290.25730.26990.22510.13630.00021.1741-0.0019-0.01351.2735-0.24791.2582-103.958-58.6858-90.9448
210.1644-0.01380.11140.1737-0.06390.0389-0.6691-0.0109-0.9515-0.2246-0.43370.08690.53941.173-0.00111.36420.1161-0.26221.6637-0.1931.4713-118.0539-54.7559-100.7588
220.7490.5041-0.30771.12990.4830.5514-0.08030.2362-0.08510.52910.23570.4952-0.19550.38280.00041.24580.1311-0.111.249-0.05951.2245-111.254-51.9543-86.3839
230.62030.35160.4135-0.11590.1955-0.18180.1450.3666-0.02340.55620.06250.06360.3220.38380.00011.20430.2129-0.15181.2156-0.21191.2985-91.2231-45.8507-82.5593
240.5353-0.6589-0.12950.67830.1357-0.07720.05880.45920.0553-0.08390.02830.2565-0.071-0.0795-00.87580.0412-0.01451.0756-0.13150.8438-82.1787-18.5668-69.2755
250.16840.13940.06960.1180.0640.1133-0.7070.1874-0.5659-0.4343-0.78630.19090.01360.42770.00862.8831-0.00910.41191.4729-0.39951.8701-61.895915.3822-58.1151
260.8368-0.93660.42241.0827-0.36610.06570.2460.02540.09060.2792-0.1677-0.1754-0.0641-0.0257-00.96010.02880.04051.1832-0.17011.075-62.0102-3.2454-51.2704
270.12950.0145-0.00570.1932-0.30020.3443-0.146-0.4536-0.27141.19611.0338-0.07420.1304-0.3177-0.00081.17060.0807-0.04931.3433-0.12211.4101-86.5911-31.2568-65.468
280.1399-0.0537-0.03730.16470.23580.28480.41771.20150.929-0.78290.05870.77690.2139-1.19060.00361.04790.1494-0.07561.2928-0.34410.9443-100.5607-31.544-82.1049
290.99290.64570.03590.7830.1772-0.29950.1409-0.04030.1202-0.16610.1353-0.2911-0.1318-0.2047-0.00010.87130.0645-0.01980.9659-0.23020.9717-84.7889-12.0561-56.8029
301.03620.9121-0.05320.83410.03150.11440.04230.0725-0.16680.03-0.0153-0.3585-0.29540.7985-01.1842-0.069-0.08021.3905-0.26161.3664-53.94298.6992-33.0404
31-0.0067-0.1520.11630.3488-0.29370.09340.7761-0.76050.24810.5052-0.9811-0.26880.9282-0.1737-01.5491-0.1324-0.15021.9941-0.42031.7277-42.140624.534-8.1893
320.5560.47230.69621.35310.68210.29060.08-0.0082-0.05460.22310.02950.25470.05250.0035-01.0064-0.02560.1011.1728-0.13211.078-103.59231.4358-51.3972
331.45320.1587-1.06230.7538-0.81340.9625-0.13450.21540.1512-0.26650.11060.3163-0.1613-0.146700.9980.101-0.1681.23440.02181.1271-124.5285-20.2678-87.2084
340.81981.0421-0.34460.9773-0.65191.8162-0.26530.56270.0813-0.60260.1750.28330.2877-0.24970.00011.19590.0323-0.18151.2037-0.10361.1086-128.5602-28.9332-96.6857
350.12560.1864-0.00870.14820.14740.42290.4289-0.67540.2571-0.7441-0.0153-0.00920.458-0.06210.00071.467-0.094-0.13941.28660.01451.2749-127.861-40.4474-93.3435
360.40260.00340.40391.6910.12540.2411-0.2093-0.01890.4326-0.80570.17270.73060.70270.1979-0.00011.21810.0287-0.03831.229-0.09221.1552-125.8851-33.1786-90.7949
370.1633-0.4707-0.22790.43770.51920.25860.09180.47780.4252-0.20450.15580.1469-0.08480.2619-01.1209-0.0314-0.06961.1557-0.05671.1973-116.4792-8.462-77.0334
38-0.4867-0.09940.39480.48160.32811.2690.10540.25160.13780.21050.11160.3290.43170.14530.00010.80690.06530.05450.9405-0.13260.9812-104.1546-4.1594-52.5391
390.0747-0.01920.09180.0422-0.01830.09790.65440.22320.25910.9303-0.1373-0.90360.4812-0.2507-0.00141.8121-0.11930.14711.434-0.21731.1975-88.0414.8279-26.7494
400.45481.3032-0.99541.2861-1.0840.9364-0.1649-0.18210.0922-0.01080.3147-0.1728-0.36260.1080.00020.87820.1003-0.01141.0669-0.12861.0577-88.59914.2808-43.7548
410.25480.0658-0.34250.1123-0.09530.3340.5058-0.2682-0.9086-0.4732-1.137-1.2203-0.3191-0.2627-0.00061.21980.02390.07171.1664-0.01171.2155-102.884-10.3013-69.8627
420.114-0.092-0.11140.39830.0630.20290.04380.1181-0.50330.7486-0.28241.96920.7178-0.6487-0.00081.12890.0518-0.30811.2084-0.02621.3144-119.7092-24.1156-70.043
43-0.09820.2911-0.43960.69220.64360.84460.1597-0.3112-0.19640.3948-0.1451-0.1549-0.0795-0.1889-0.00010.92080.0874-0.13830.9793-0.09460.882-93.7284-8.2042-50.4946
441.35620.17410.8260.0420.38491.07510.0665-0.07630.58330.1954-0.0924-0.0831-0.2337-0.1566-01.2899-0.0781-0.00931.3244-0.28261.2502-70.039822.1354-30.174
450.0091-0.0782-0.0159-0.03290.026-0.01420.03250.61420.131-0.13570.3954-0.2985-0.32160.17840.00011.4633-0.1991-0.23851.4399-0.05011.6184-45.503234.1359-13.9684
460.06480.85790.24761.00970.12380.4930.14230.08690.03240.2217-0.0219-0.03150.27030.1299-0.00011.12630.1021-0.02691.1556-0.18771.2238-91.0459-29.3908-38.564
471.0454-1.1067-0.48021.30230.69041.42270.2913-0.2128-0.12040.0285-0.25410.02610.4193-0.4598-01.1323-0.0965-0.0621.1561-0.04141.1571-126.2137-50.1698-59.6944
480.8547-0.0665-1.02810.1415-0.07440.90530.61590.0567-0.1505-0.0652-0.6577-0.77640.1717-1.1975-0.00041.13010.0297-0.21151.6097-0.30121.5687-139.3045-48.1585-71.216
490.4126-0.20720.29630.1361-0.26990.35870.22360.3557-0.09380.2726-0.57990.85190.0439-0.5802-0.00021.0888-0.1164-0.06051.3544-0.27021.3074-129.0663-55.8787-74.9125
500.32990.21420.00840.0933-0.03090.03920.26660.89890.26960.0417-0.08350.12810.0358-0.2405-01.15190.0901-0.02791.5682-0.08871.3313-128.8872-47.5111-79.2328
510.26470.3056-0.82760.0575-0.48722.15130.1010.46450.06510.25710.2199-0.170.3719-0.9709-0.00021.1310.0161-0.07151.3359-0.13981.3388-129.2204-48.1623-70.3477
520.35930.04880.3624-0.0931-0.11680.8716-0.1234-0.18530.05240.36280.25830.04380.0903-0.125401.0298-0.01730.02141.0478-0.17071.0548-115.7756-40.1942-47.4355
530.22750.3359-0.10580.4067-0.26830.1168-0.0930.69430.15760.3583-0.07880.45570.06320.52430.00041.08920.041-0.09530.8096-0.14111.0649-101.0331-33.9427-47.0213
540.62220.1436-0.7338-0.1591-0.28141.36750.16760.545-0.24580.2196-0.0464-0.07520.94570.23540.00010.87840.0777-0.07860.9851-0.15110.8438-85.9364-25.6792-42.1774
550.0990.0440.29030.02060.11450.8399-0.39740.2714-0.0384-0.3521-0.1794-0.13490.381-0.4577-0.00131.83320.05450.02551.72420.19221.8794-62.0697-19.7432-23.2262
560.5339-0.0947-0.1393-0.06690.00540.0047-0.0588-0.27330.09470.0521-0.1692-0.26330.16950.0387-0.00011.06930.0441-0.08831.1098-0.0911.0558-78.7764-12.3682-24.8446
570.7006-0.38160.11670.4542-0.53960.7692-0.10750.3198-0.315-0.10950.23690.1783-0.18210.12530.00011.16970.05190.02381.2603-0.13651.111-107.5635-34.6718-55.4797
580.9167-0.00221.474-0.38120.12121.07170.2609-0.1962-0.08890.0603-0.1711-0.07930.3220.13820.00040.8522-0.09360.041.1346-0.15670.9649-87.7811-17.6434-46.9629
590.93420.21380.62281.5214-0.58790.63190.0296-0.31220.02880.97960.055-0.3408-0.1294-0.38150.00021.18970.001-0.16341.384-0.27251.1866-67.01556.3342-16.7662
600.0385-0.11850.10750.296-0.0769-0.0322-0.1135-0.80220.3913-0.0996-0.36930.7719-0.0083-0.9119-0.00021.7486-0.1289-0.0461.485-0.2541.4699-51.277130.4442-4.3394
610.2236-0.1749-0.29760.39390.04840.3396-0.60070.58920.85430.39710.2589-0.4453-0.282-0.08670.00011.2777-0.1079-0.02261.10360.04871.5022-89.908338.1045-66.0682
620.1913-0.57880.26870.9945-0.41990.4237-0.1168-0.00280.00540.27110.1477-0.10910.10630.4372-0.00010.97360.02370.01461.1807-0.06521.0779-87.81426.6271-62.0778
630.4015-0.6396-0.17440.6579-1.28620.2867-0.065-0.05330.41970.3786-0.06960.3621-0.41670.028-0.00011.0193-0.08140.05911.0978-0.09181.179-90.19930.8871-64.6326
640.1373-0.4159-0.27790.6010.73640.4994-0.6979-0.39761.9597-0.0568-0.38760.322-1.6297-0.2568-01.059-0.0922-0.03811.22060.1221.3378-100.421949.8922-101.8179
650.69620.38340.55360.74790.05750.69370.16420.21480.09650.1515-0.3342-0.1379-0.32050.014701.0398-0.12450.10761.2110.05351.2709-96.881345.6182-89.6056
660.311-0.3641-0.24590.36540.24540.16841.2715-0.40580.60140.41250.7174-0.06450.2745-0.5864-0.00461.38920.03530.12661.31440.13651.4155-96.743655.5582-90.9801
670.68430.2468-0.01760.1592-0.09880.2123-0.1944-0.4342-0.15990.86710.26840.1678-0.28330.16140.00041.2945-0.03520.09741.1703-0.17361.1977-104.5528-11.853-0.0136
681.2635-0.2168-1.64021.62040.68641.93680.1103-0.27080.23740.4353-0.1105-0.2666-0.010.1293-01.0445-0.0702-0.02970.9222-0.09530.9249-97.7672-13.1569-8.5141
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'H' and (resid 82A through 119 )
2X-RAY DIFFRACTION2chain 'H' and (resid 120 through 135 )
3X-RAY DIFFRACTION3chain 'H' and (resid 136 through 194 )
4X-RAY DIFFRACTION4chain 'H' and (resid 195 through 215 )
5X-RAY DIFFRACTION5chain 'I' and (resid 1 through 113 )
6X-RAY DIFFRACTION6chain 'I' and (resid 114 through 212 )
7X-RAY DIFFRACTION7chain 'J' and (resid 1 through 119 )
8X-RAY DIFFRACTION8chain 'J' and (resid 120 through 203 )
9X-RAY DIFFRACTION9chain 'J' and (resid 204 through 216 )
10X-RAY DIFFRACTION10chain 'K' and (resid 1 through 32 )
11X-RAY DIFFRACTION11chain 'K' and (resid 33 through 69 )
12X-RAY DIFFRACTION12chain 'K' and (resid 70 through 113 )
13X-RAY DIFFRACTION13chain 'K' and (resid 114 through 150 )
14X-RAY DIFFRACTION14chain 'K' and (resid 151 through 198 )
15X-RAY DIFFRACTION15chain 'K' and (resid 199 through 214 )
16X-RAY DIFFRACTION16chain 'L' and (resid 1 through 113 )
17X-RAY DIFFRACTION17chain 'L' and (resid 114 through 212 )
18X-RAY DIFFRACTION18chain 'A' and (resid 11 through 66 )
19X-RAY DIFFRACTION19chain 'A' and (resid 67 through 113 )
20X-RAY DIFFRACTION20chain 'A' and (resid 114 through 184 )
21X-RAY DIFFRACTION21chain 'A' and (resid 185 through 201 )
22X-RAY DIFFRACTION22chain 'A' and (resid 202 through 247 )
23X-RAY DIFFRACTION23chain 'A' and (resid 248 through 279 )
24X-RAY DIFFRACTION24chain 'A' and (resid 280 through 325 )
25X-RAY DIFFRACTION25chain 'A' and (resid 326 through 328 )
26X-RAY DIFFRACTION26chain 'B' and (resid 5 through 55 )
27X-RAY DIFFRACTION27chain 'B' and (resid 56 through 65 )
28X-RAY DIFFRACTION28chain 'B' and (resid 66 through 74 )
29X-RAY DIFFRACTION29chain 'B' and (resid 75 through 125 )
30X-RAY DIFFRACTION30chain 'B' and (resid 126 through 180 )
31X-RAY DIFFRACTION31chain 'B' and (resid 181 through 208 )
32X-RAY DIFFRACTION32chain 'C' and (resid 11 through 60 )
33X-RAY DIFFRACTION33chain 'C' and (resid 61 through 135 )
34X-RAY DIFFRACTION34chain 'C' and (resid 136 through 184 )
35X-RAY DIFFRACTION35chain 'C' and (resid 185 through 213 )
36X-RAY DIFFRACTION36chain 'C' and (resid 214 through 255 )
37X-RAY DIFFRACTION37chain 'C' and (resid 256 through 288 )
38X-RAY DIFFRACTION38chain 'C' and (resid 289 through 328 )
39X-RAY DIFFRACTION39chain 'D' and (resid 2 through 11 )
40X-RAY DIFFRACTION40chain 'D' and (resid 12 through 55 )
41X-RAY DIFFRACTION41chain 'D' and (resid 56 through 65 )
42X-RAY DIFFRACTION42chain 'D' and (resid 66 through 74 )
43X-RAY DIFFRACTION43chain 'D' and (resid 75 through 126 )
44X-RAY DIFFRACTION44chain 'D' and (resid 127 through 180 )
45X-RAY DIFFRACTION45chain 'D' and (resid 181 through 208 )
46X-RAY DIFFRACTION46chain 'E' and (resid 11 through 65 )
47X-RAY DIFFRACTION47chain 'E' and (resid 66 through 153 )
48X-RAY DIFFRACTION48chain 'E' and (resid 154 through 175 )
49X-RAY DIFFRACTION49chain 'E' and (resid 176 through 195 )
50X-RAY DIFFRACTION50chain 'E' and (resid 196 through 220 )
51X-RAY DIFFRACTION51chain 'E' and (resid 221 through 255 )
52X-RAY DIFFRACTION52chain 'E' and (resid 256 through 284 )
53X-RAY DIFFRACTION53chain 'E' and (resid 285 through 304 )
54X-RAY DIFFRACTION54chain 'E' and (resid 305 through 325 )
55X-RAY DIFFRACTION55chain 'E' and (resid 326 through 328 )
56X-RAY DIFFRACTION56chain 'F' and (resid 4 through 55 )
57X-RAY DIFFRACTION57chain 'F' and (resid 56 through 74 )
58X-RAY DIFFRACTION58chain 'F' and (resid 75 through 126 )
59X-RAY DIFFRACTION59chain 'F' and (resid 127 through 181 )
60X-RAY DIFFRACTION60chain 'F' and (resid 182 through 208 )
61X-RAY DIFFRACTION61chain 'G' and (resid 1 through 28 )
62X-RAY DIFFRACTION62chain 'G' and (resid 29 through 71 )
63X-RAY DIFFRACTION63chain 'G' and (resid 72 through 119 )
64X-RAY DIFFRACTION64chain 'G' and (resid 120 through 134 )
65X-RAY DIFFRACTION65chain 'G' and (resid 135 through 203 )
66X-RAY DIFFRACTION66chain 'G' and (resid 204 through 215 )
67X-RAY DIFFRACTION67chain 'H' and (resid 1 through 17 )
68X-RAY DIFFRACTION68chain 'H' and (resid 18 through 82 )

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