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- PDB-6xp6: 3C11-DQ2-glia-a2 complex -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6xp6
Title3C11-DQ2-glia-a2 complex
Components
  • (MHC class II HLA-DQ- ...) x 2
  • 3.C11 IgH Fab
  • 3.C11 IgK Fab
  • DQ2-glia-a2 peptide
KeywordsPEPTIDE BINDING PROTEIN / Complex Antibody Human Leucocyte Antigen
Function / homology
Function and homology information


antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / MHC class II protein complex / adaptive immune response / endosome membrane / lysosomal membrane
Similarity search - Function
MHC class II, beta chain, N-terminal / Class II histocompatibility antigen, beta domain / Class II histocompatibility antigen, beta domain / MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site ...MHC class II, beta chain, N-terminal / Class II histocompatibility antigen, beta domain / Class II histocompatibility antigen, beta domain / MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / 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 / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
ISOPROPYL ALCOHOL / MHC class II HLA-DQ-alpha chain / MHC class II HLA-DQ-beta-1
Similarity search - Component
Biological speciesHomo sapiens (human)
Triticum aestivum (bread wheat)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsPetersen, J. / Rossjohn, J.
CitationJournal: Sci Immunol / Year: 2021
Title: A high-affinity human TCR-like antibody detects celiac disease gluten peptide-MHC complexes and inhibits T cell activation.
Authors: Frick, R. / Hoydahl, L.S. / Petersen, J. / du Pre, M.F. / Kumari, S. / Berntsen, G. / Dewan, A.E. / Jeliazkov, J.R. / Gunnarsen, K.S. / Frigstad, T. / Vik, E.S. / Llerena, C. / Lundin, K.E.A. ...Authors: Frick, R. / Hoydahl, L.S. / Petersen, J. / du Pre, M.F. / Kumari, S. / Berntsen, G. / Dewan, A.E. / Jeliazkov, J.R. / Gunnarsen, K.S. / Frigstad, T. / Vik, E.S. / Llerena, C. / Lundin, K.E.A. / Yaqub, S. / Jahnsen, J. / Gray, J.J. / Rossjohn, J. / Sollid, L.M. / Sandlie, I. / Loset, G.A.
History
DepositionJul 8, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 28, 2021Provider: repository / Type: Initial release
Revision 1.1Sep 1, 2021Group: Database references / Category: citation / citation_author / database_2
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3Oct 9, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: MHC class II HLA-DQ-alpha chain
B: MHC class II HLA-DQ-beta-1
D: MHC class II HLA-DQ-alpha chain
E: MHC class II HLA-DQ-beta-1
H: 3.C11 IgH Fab
J: 3.C11 IgH Fab
G: 3.C11 IgK Fab
I: 3.C11 IgK Fab
C: DQ2-glia-a2 peptide
F: DQ2-glia-a2 peptide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)192,97532
Polymers188,66610
Non-polymers4,30922
Water14,682815
1
A: MHC class II HLA-DQ-alpha chain
B: MHC class II HLA-DQ-beta-1
H: 3.C11 IgH Fab
G: 3.C11 IgK Fab
C: DQ2-glia-a2 peptide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,70918
Polymers94,3335
Non-polymers2,37613
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: MHC class II HLA-DQ-alpha chain
E: MHC class II HLA-DQ-beta-1
J: 3.C11 IgH Fab
I: 3.C11 IgK Fab
F: DQ2-glia-a2 peptide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,26714
Polymers94,3335
Non-polymers1,9339
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)91.847, 143.047, 170.153
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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MHC class II HLA-DQ- ... , 2 types, 4 molecules ADBE

#1: Protein MHC class II HLA-DQ-alpha chain


Mass: 21517.906 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DQA1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: O19705
#2: Protein MHC class II HLA-DQ-beta-1


Mass: 23374.184 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DQB1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: O19712

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Protein/peptide , 1 types, 2 molecules CF

#5: Protein/peptide DQ2-glia-a2 peptide


Mass: 2438.587 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Triticum aestivum (bread wheat) / Production host: Trichoplusia ni (cabbage looper)

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Antibody , 2 types, 4 molecules HJGI

#3: Antibody 3.C11 IgH Fab


Mass: 23575.543 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#4: Antibody 3.C11 IgK Fab


Mass: 23426.912 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)

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Sugars , 4 types, 6 molecules

#6: 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.: 3 / Source method: obtained synthetically
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
#7: Polysaccharide beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1203.105 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-3[DManpb1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-3][LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a1122h-1b_1-5]/1-2-1-3-3-3-2/a3-b1_a4-c1_a6-g1_c4-d1_d3-e1_d6-f1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(3+1)][a-L-Fucp]{}[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][b-D-Manp]{}[(6+1)][b-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#8: Polysaccharide beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4) ...beta-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
DManpb1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2-2/a4-b1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][b-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.: 1 / Source method: obtained synthetically / 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 , 3 types, 831 molecules

#10: Chemical
ChemComp-IPA / ISOPROPYL ALCOHOL / 2-PROPANOL


Mass: 60.095 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Formula: C3H8O / Comment: alkaloid*YM
#11: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cl
#12: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 815 / Source method: isolated from a natural source / Formula: H2O

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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: 2.97 Å3/Da / Density % sol: 58.52 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / Details: 10% PEG 4000 20% 2-propanol 0.1M HEPES

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95372 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 20, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.95372 Å / Relative weight: 1
ReflectionResolution: 2.4→47.03 Å / Num. obs: 88213 / % possible obs: 99.93 % / Redundancy: 2 % / CC1/2: 0.993 / Rpim(I) all: 0.07157 / Net I/σ(I): 8.78
Reflection shellResolution: 2.4→2.486 Å / Num. unique obs: 8724 / CC1/2: 0.633 / Rpim(I) all: 0.5562

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Processing

Software
NameVersionClassification
PHENIX(1.18.2_3874: ???)refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5jo4, 6mfg

5jo4

6mfg


Resolution: 2.4→47.03 Å / SU ML: 0.3 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 22.85 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2124 1831 2.08 %
Rwork0.1762 --
obs0.177 88192 99.94 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.4→47.03 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12511 0 281 815 13607
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00613176
X-RAY DIFFRACTIONf_angle_d0.83117946
X-RAY DIFFRACTIONf_dihedral_angle_d19.1844840
X-RAY DIFFRACTIONf_chiral_restr0.0532072
X-RAY DIFFRACTIONf_plane_restr0.0062282
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.460.31041420.27466571X-RAY DIFFRACTION100
2.46-2.540.27481470.24716559X-RAY DIFFRACTION100
2.54-2.620.31341560.24176561X-RAY DIFFRACTION100
2.62-2.710.30951320.23146560X-RAY DIFFRACTION100
2.71-2.820.25831270.22466578X-RAY DIFFRACTION100
2.82-2.950.26321430.21786602X-RAY DIFFRACTION100
2.95-3.110.26511470.19726593X-RAY DIFFRACTION100
3.11-3.30.221310.18086629X-RAY DIFFRACTION100
3.3-3.550.18771470.16956623X-RAY DIFFRACTION100
3.55-3.910.19821500.15286635X-RAY DIFFRACTION100
3.91-4.480.15271460.13066718X-RAY DIFFRACTION100
4.48-5.640.14231120.1326750X-RAY DIFFRACTION100
5.64-47.030.20751510.17736982X-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)
11.2485-1.450.59084.2459-1.36254.6077-0.1054-0.02770.09720.24280.0152-0.2618-0.2970.15250.12420.3605-0.0845-0.0320.2292-0.04550.2878-0.2655-27.1895-13.5919
27.1483-6.34684.50848.9319-7.07527.6980.2385-0.243-0.43930.14820.22711.16890.1642-0.2648-0.51090.373-0.05290.02890.2427-0.00630.4084-13.0603-29.8807-14.6139
31.8287-0.1810.32284.28021.08132.1708-0.0966-0.07740.09070.67370.2247-0.61390.37930.4359-0.16130.48430.0359-0.14180.3636-0.07370.36639.1671-36.2293-5.6852
44.3976-4.5886-1.34026.97641.78942.59320.0983-0.24190.09220.37060.1703-0.13070.0240.0454-0.2450.4223-0.0795-0.00550.2676-0.04580.2422-5.3518-10.5413-1.0991
53.5529-3.5834-2.21725.51.54942.4672-0.0968-0.23270.22290.37840.3748-0.37340.07870.0328-0.2980.3638-0.0288-0.0010.2829-0.04940.2573-3.3121-12.7925-2.5299
63.96060.4565-0.31132.05083.10424.9645-0.8667-0.50891.12931.5170.7959-1.6005-0.45760.47880.16790.5529-0.0566-0.08890.3883-0.15340.45281.9744-8.55434.6392
71.431-1.4583-0.15014.01960.67481.47350.130.0823-0.1302-0.16790.0663-0.29450.03620.2293-0.19930.3029-0.06090.02220.3018-0.05950.31086.9297-31.5146-21.761
83.66670.960.63998.98830.04843.1530.01890.03370.3912-0.2958-0.03970.1195-0.3869-0.06640.020.3924-0.02760.06580.2823-0.02260.2296-4.46884.9557-20.8388
92.21831.60071.78484.55551.67783.4546-0.0420.0766-0.1417-0.05650.1244-0.33020.1850.1562-0.09890.3040.0229-0.02320.21070.00990.258720.360838.0112-22.5186
109.19342.6378-6.95232.4879-2.22695.33440.5386-0.33090.28570.2719-0.10730.115-1.06430.1123-0.43130.32490.0221-0.04340.22270.00850.249716.002450.7458-11.8709
111.6857-1.9819-0.63056.94332.37583.5969-0.0722-0.0907-0.36110.56370.02210.3270.38890.18970.07940.32730.0166-0.01340.30190.06720.249320.985321.9393-10.9849
124.1154-1.6856-1.38944.20011.34623.4337-0.2521-0.3966-0.24280.79920.3688-0.32330.44260.4646-0.11950.5309-0.01-0.05780.28530.04390.388325.76222.2759-8.4387
131.5154-1.2411-0.34123.86090.25421.14610.10570.0593-0.0708-0.1519-0.06210.3593-0.1306-0.1926-0.0190.2238-0.0368-0.01250.26230.02450.2886.626342.37-22.2257
143.91652.535-0.8658.6830.0352.3785-0.1213-0.0357-0.42350.0575-0.0837-0.11860.5059-0.06590.17590.32550.01080.02380.2263-0.00280.187114.4077.7943-24.9728
154.8617-0.51990.65746.4909-1.15011.304-0.10170.0401-0.8521-0.18790.1120.35741.00230.4295-0.03850.74230.08670.08810.3112-0.0610.424515.47370.0128-31.877
169.52725.01370.00257.50430.29620.7895-0.1315-0.6569-0.92860.8203-0.1142-0.20710.64860.19490.25640.6960.0464-0.0040.32410.04120.2586-8.3436-66.6795-5.3547
175.19553.7034-5.68443.5822-5.32678.0340.5401-0.7441-0.25071.1189-0.6071-0.4127-0.46720.38280.0180.63830.0432-0.07390.3784-0.00080.44152.9325-56.0937-7.8774
182.863.0098-0.93356.89221.61462.66710.2736-0.31960.35510.8902-0.29280.69410.1864-0.03220.04680.63020.0260.11220.3301-0.01420.3336-12.107-56.2822-7.3246
192.5272.5259-0.82895.5881-1.10910.23730.08020.1657-0.08870.19670.04310.1286-0.0717-0.1002-0.13020.48950.03370.05290.30390.00030.2624-14.5517-72.0232-15.9911
204.06491.99780.51715.72614.79739.2397-0.2140.0785-0.4470.13940.1441-0.51230.04440.16650.12040.431-0.03180.06710.2230.02860.4542-18.9679-89.4505-17.2997
212.95251.0215-1.04394.0472.10388.3652-0.04360.2859-0.58580.13120.0845-0.360.55210.0557-0.01460.3583-0.00880.10.29220.02240.5505-19.5506-92.1148-19.4657
227.15244.7428-6.22827.6618-3.02966.03390.0423-0.51041.42210.50860.07160.1865-0.61360.2051-0.11830.4232-0.0451-0.1020.2874-0.05050.255630.720176.1064-18.3508
234.37452.05110.20183.4068-0.78191.6049-0.041-0.0201-0.02520.1455-0.0554-0.1966-0.25310.17270.07920.3299-0.0124-0.04250.2195-0.01170.198827.506166.1641-20.8765
241.90960.3242-0.91754.53-1.75832.480.18180.30450.64690.2398-0.2858-0.3891-1.20040.43650.17920.7565-0.1043-0.04010.44430.10010.65436.817393.7313-36.151
256.1634-1.8881.79128.86650.10941.85730.07780.32471.24860.7704-0.4414-0.3946-1.47730.66730.36131.0046-0.0909-0.00450.50950.08230.861835.472102.7684-40.4377
266.5698-4.4526-4.61844.03115.65929.68310.07590.28950.2664-0.1439-0.18540.21740.2151-0.67690.17150.40580.00980.00520.30950.00880.3514-15.0126-58.981-33.9614
272.4053-0.1585-0.75172.29241.77125.4271-0.0076-0.01390.2632-0.0955-0.10140.0028-0.268-0.09110.12340.3107-0.0042-0.0170.19330.02750.2488-7.5628-55.3602-29.1751
285.85896.98415.42488.33076.42285.02740.02160.5225-0.9964-0.05480.4428-0.71580.7081-0.1873-0.46550.4079-0.05520.00130.4218-0.06920.3997-17.294-74.4925-39.3283
298.73592.5261-3.8265.7351-1.04855.59380.1678-0.00820.29370.1869-0.05690.5697-0.1591-0.7139-0.13260.3258-0.0455-0.01120.39820.00610.3083-32.0348-82.7794-24.8195
304.99573.2391-3.76584.2623-2.7675.9824-0.06270.74250.4487-0.16850.50970.6287-0.0514-0.8603-0.44410.3377-0.02560.00920.40670.09250.4107-32.4123-82.9797-28.1596
312.803-1.46240.31554.4071-0.6263.5430.08220.2558-0.0621-0.4161-0.0926-0.04-0.0050.0780.01080.2806-0.0202-0.02270.2132-0.02670.186816.301765.891-38.3021
325.0984.3069-1.46634.8494-0.29298.1624-1.00761.63840.9267-0.8321.09080.4263-1.481-0.1118-0.09910.7139-0.0808-0.06250.76330.17990.462319.211382.6202-51.874
332.29030.0574-1.09283.7569-1.76933.99590.08090.5593-0.1976-0.108-0.3355-0.8043-0.28530.75510.28680.6101-0.07220.07610.70770.09610.691340.911487.4127-49.2073
344.99182.07680.11194.9465-2.09684.0146-0.08341.2886-0.9496-0.43540.0587-0.6932-0.080.72640.06560.5108-0.01720.07990.8196-0.04080.630239.085287.3415-51.8881
359.1426-8.44521.25598.9947-2.81222.4036-0.40460.4077-0.14320.2850.1804-0.0808-0.54560.4840.26190.407-0.0839-0.05280.3461-0.08040.35212.8745-39.2568-18.1341
368.333-4.7216-5.95965.90264.46874.59950.20180.77930.2009-0.3035-0.0991-0.02720.3119-0.9336-0.31570.4531-0.0475-0.00840.30060.05690.252212.544249.7672-21.6984
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 35 )
2X-RAY DIFFRACTION2chain 'A' and (resid 36 through 55 )
3X-RAY DIFFRACTION3chain 'A' and (resid 56 through 87 )
4X-RAY DIFFRACTION4chain 'A' and (resid 88 through 134 )
5X-RAY DIFFRACTION5chain 'A' and (resid 135 through 166 )
6X-RAY DIFFRACTION6chain 'A' and (resid 167 through 181 )
7X-RAY DIFFRACTION7chain 'B' and (resid 3 through 97 )
8X-RAY DIFFRACTION8chain 'B' and (resid 98 through 190 )
9X-RAY DIFFRACTION9chain 'D' and (resid 0 through 55 )
10X-RAY DIFFRACTION10chain 'D' and (resid 56 through 76 )
11X-RAY DIFFRACTION11chain 'D' and (resid 77 through 110 )
12X-RAY DIFFRACTION12chain 'D' and (resid 111 through 181 )
13X-RAY DIFFRACTION13chain 'E' and (resid 3 through 97 )
14X-RAY DIFFRACTION14chain 'E' and (resid 98 through 162 )
15X-RAY DIFFRACTION15chain 'E' and (resid 163 through 190 )
16X-RAY DIFFRACTION16chain 'H' and (resid 2 through 18 )
17X-RAY DIFFRACTION17chain 'H' and (resid 19 through 37 )
18X-RAY DIFFRACTION18chain 'H' and (resid 38 through 99 )
19X-RAY DIFFRACTION19chain 'H' and (resid 100 through 150 )
20X-RAY DIFFRACTION20chain 'H' and (resid 151 through 173 )
21X-RAY DIFFRACTION21chain 'H' and (resid 174 through 229 )
22X-RAY DIFFRACTION22chain 'J' and (resid 2 through 18 )
23X-RAY DIFFRACTION23chain 'J' and (resid 19 through 122 )
24X-RAY DIFFRACTION24chain 'J' and (resid 123 through 191 )
25X-RAY DIFFRACTION25chain 'J' and (resid 192 through 229 )
26X-RAY DIFFRACTION26chain 'G' and (resid 1 through 18 )
27X-RAY DIFFRACTION27chain 'G' and (resid 19 through 118 )
28X-RAY DIFFRACTION28chain 'G' and (resid 119 through 129 )
29X-RAY DIFFRACTION29chain 'G' and (resid 130 through 179 )
30X-RAY DIFFRACTION30chain 'G' and (resid 180 through 228 )
31X-RAY DIFFRACTION31chain 'I' and (resid 1 through 118 )
32X-RAY DIFFRACTION32chain 'I' and (resid 119 through 129 )
33X-RAY DIFFRACTION33chain 'I' and (resid 130 through 179 )
34X-RAY DIFFRACTION34chain 'I' and (resid 180 through 228 )
35X-RAY DIFFRACTION35chain 'C' and (resid 1 through 13 )
36X-RAY DIFFRACTION36chain 'F' and (resid 1 through 13 )

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