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- PDB-6gb7: Structure of H-2Db with scoop loop from tapasin -

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Basic information

Entry
Database: PDB / ID: 6gb7
TitleStructure of H-2Db with scoop loop from tapasin
Components
  • (Beta-2-microglobulinBeta-2 microglobulin) x 2
  • GLY-GLY-LEU-SER
  • H-2 class I histocompatibility antigen, D-B alpha chain
  • PHE-ALA-PRO-GLY-ASN-TYR-PRO
KeywordsIMMUNE SYSTEM / MHC / MHC-I / H-2Kb / H-2K(b)
Function / homology
Function and homology information


MHC class Ib protein complex assembly / peptide antigen stabilization / antigen processing and presentation of exogenous peptide antigen via MHC class I, TAP-dependent / regulation of protein complex stability / TAP1 binding / TAP2 binding / positive regulation of antibody-dependent cellular cytotoxicity / regulation of natural killer cell mediated immunity / positive regulation of TRAIL production / antigen processing and presentation of exogenous peptide antigen via MHC class Ib ...MHC class Ib protein complex assembly / peptide antigen stabilization / antigen processing and presentation of exogenous peptide antigen via MHC class I, TAP-dependent / regulation of protein complex stability / TAP1 binding / TAP2 binding / positive regulation of antibody-dependent cellular cytotoxicity / regulation of natural killer cell mediated immunity / positive regulation of TRAIL production / antigen processing and presentation of exogenous peptide antigen via MHC class Ib / MHC class Ib protein complex / positive regulation of natural killer cell mediated immunity / positive regulation of natural killer cell cytokine production / natural killer cell tolerance induction / natural killer cell lectin-like receptor binding / negative regulation of natural killer cell activation / cis-Golgi network membrane / positive regulation of natural killer cell activation / Endosomal/Vacuolar pathway / DAP12 interactions / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / ER-Phagosome pathway / DAP12 signaling / negative regulation of natural killer cell mediated cytotoxicity / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / positive regulation of interleukin-13 production / helical viral capsid / positive regulation of natural killer cell mediated cytotoxicity / regulation of membrane depolarization / plasma membrane => GO:0005886 / positive regulation of natural killer cell proliferation / T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-dependent / positive regulation of memory T cell activation / positive regulation of immunoglobulin production / TAP complex binding / antigen processing and presentation of exogenous peptide antigen via MHC class I / Golgi medial cisterna / positive regulation of CD8-positive, alpha-beta T cell activation / CD8-positive, alpha-beta T cell activation / positive regulation of interleukin-4 production / positive regulation of CD8-positive, alpha-beta T cell proliferation / CD8 receptor binding / MHC class I protein binding / cellular defense response / endoplasmic reticulum exit site / beta-2-microglobulin binding / TAP binding / protection from natural killer cell mediated cytotoxicity / negative regulation of T cell proliferation / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent / antigen processing and presentation of endogenous peptide antigen via MHC class Ib / detection of bacterium / Neutrophil degranulation / T cell receptor binding / 14-3-3 protein binding / lumenal side of endoplasmic reticulum membrane / peptide binding / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / cellular response to iron(III) ion / negative regulation of forebrain neuron differentiation / defense response / peptide antigen assembly with MHC class I protein complex / response to molecule of bacterial origin / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / cellular response to iron ion / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / MHC class I protein complex / multicellular organismal-level iron ion homeostasis / positive regulation of T cell mediated cytotoxicity / peptide antigen assembly with MHC class II protein complex / negative regulation of neurogenesis / MHC class II protein complex / positive regulation of receptor-mediated endocytosis / cellular response to nicotine / phagocytic vesicle membrane / peptide antigen binding / positive regulation of cellular senescence / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / negative regulation of epithelial cell proliferation / positive regulation of T cell activation / antimicrobial humoral immune response mediated by antimicrobial peptide / positive regulation of type II interferon production / sensory perception of smell / negative regulation of neuron projection development / positive regulation of tumor necrosis factor production / MHC class II protein complex binding / late endosome membrane / T cell differentiation in thymus / antibacterial humoral response / iron ion transport / T cell receptor signaling pathway / protein-folding chaperone binding / protein refolding
Similarity search - Function
Tapasin / Paramyxovirus nucleocapsid protein / Paramyxovirus nucleocapsid protein / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin ...Tapasin / Paramyxovirus nucleocapsid protein / Paramyxovirus nucleocapsid protein / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / 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 / Immunoglobulins / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Nucleoprotein / Beta-2-microglobulin / H-2 class I histocompatibility antigen, D-B alpha chain / Tapasin
Similarity search - Component
Biological speciesMus musculus (house mouse)
Sendai virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.15 Å
AuthorsHafstrand, I. / Sandalova, T. / Achour, A.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2019
Title: Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin.
Authors: Hafstrand, I. / Sayitoglu, E.C. / Apavaloaei, A. / Josey, B.J. / Sun, R. / Han, X. / Pellegrino, S. / Ozkazanc, D. / Potens, R. / Janssen, L. / Nilvebrant, J. / Nygren, P.A. / Sandalova, T. ...Authors: Hafstrand, I. / Sayitoglu, E.C. / Apavaloaei, A. / Josey, B.J. / Sun, R. / Han, X. / Pellegrino, S. / Ozkazanc, D. / Potens, R. / Janssen, L. / Nilvebrant, J. / Nygren, P.A. / Sandalova, T. / Springer, S. / Georgoudaki, A.M. / Duru, A.D. / Achour, A.
History
DepositionApr 13, 2018Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 6, 2019Provider: repository / Type: Initial release
Revision 1.1Mar 13, 2019Group: Data collection / Database references / Category: citation / citation_author / pdbx_database_proc
Item: _citation.journal_abbrev / _citation.pdbx_database_id_PubMed ..._citation.journal_abbrev / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Mar 20, 2019Group: Data collection / Database references / Category: citation / citation_author / pdbx_database_proc
Item: _citation.journal_abbrev / _citation.journal_volume ..._citation.journal_abbrev / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Jan 17, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: H-2 class I histocompatibility antigen, D-B alpha chain
B: Beta-2-microglobulin
C: H-2 class I histocompatibility antigen, D-B alpha chain
D: Beta-2-microglobulin
E: H-2 class I histocompatibility antigen, D-B alpha chain
F: Beta-2-microglobulin
G: H-2 class I histocompatibility antigen, D-B alpha chain
H: Beta-2-microglobulin
I: PHE-ALA-PRO-GLY-ASN-TYR-PRO
J: PHE-ALA-PRO-GLY-ASN-TYR-PRO
K: PHE-ALA-PRO-GLY-ASN-TYR-PRO
L: PHE-ALA-PRO-GLY-ASN-TYR-PRO
P: GLY-GLY-LEU-SER
R: GLY-GLY-LEU-SER
hetero molecules


Theoretical massNumber of molelcules
Total (without water)207,02429
Polymers205,62614
Non-polymers1,39715
Water13,944774
1
A: H-2 class I histocompatibility antigen, D-B alpha chain
B: Beta-2-microglobulin
K: PHE-ALA-PRO-GLY-ASN-TYR-PRO
P: GLY-GLY-LEU-SER
hetero molecules


Theoretical massNumber of molelcules
Total (without water)52,60712
Polymers51,8664
Non-polymers7418
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: H-2 class I histocompatibility antigen, D-B alpha chain
D: Beta-2-microglobulin
I: PHE-ALA-PRO-GLY-ASN-TYR-PRO
R: GLY-GLY-LEU-SER
hetero molecules


Theoretical massNumber of molelcules
Total (without water)52,1477
Polymers51,8664
Non-polymers2803
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: H-2 class I histocompatibility antigen, D-B alpha chain
F: Beta-2-microglobulin
L: PHE-ALA-PRO-GLY-ASN-TYR-PRO
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,0144
Polymers50,9183
Non-polymers961
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: H-2 class I histocompatibility antigen, D-B alpha chain
H: Beta-2-microglobulin
J: PHE-ALA-PRO-GLY-ASN-TYR-PRO
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,2566
Polymers50,9753
Non-polymers2803
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)92.700, 123.860, 100.110
Angle α, β, γ (deg.)90.00, 103.66, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 3 types, 8 molecules ACEGBDHF

#1: Protein
H-2 class I histocompatibility antigen, D-B alpha chain / H-2D(B)


Mass: 38449.129 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: H2-D1 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: P01899
#2: Protein Beta-2-microglobulin / Beta-2 microglobulin


Mass: 11761.411 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: B2m / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: P01887
#3: Protein Beta-2-microglobulin / Beta-2 microglobulin


Mass: 11704.359 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: B2m / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: P01887

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Protein/peptide , 2 types, 6 molecules IJKLPR

#4: Protein/peptide
PHE-ALA-PRO-GLY-ASN-TYR-PRO


Mass: 764.825 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Sendai virus / References: UniProt: O57286*PLUS
#5: Protein/peptide GLY-GLY-LEU-SER


Mass: 890.917 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Mus musculus (house mouse) / References: UniProt: Q9R233*PLUS

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Non-polymers , 3 types, 789 molecules

#6: Chemical
ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: SO4
#7: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C3H8O3
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 774 / 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: 2.72 Å3/Da / Density % sol: 54.71 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 1.8M ammonium sulfate, 0.1M Tris-HCl (pH 8) and 0.5M NaCl

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.97625 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 7, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 2.15→97.28 Å / Num. obs: 117221 / % possible obs: 98.4 % / Redundancy: 3.1 % / Rmerge(I) obs: 0.113 / Net I/σ(I): 5.8
Reflection shellResolution: 2.15→2.19 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.506 / Mean I/σ(I) obs: 2 / Num. unique obs: 5702 / % possible all: 97.9

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1s7u

1s7u


Resolution: 2.15→52.242 Å / SU ML: 0.28 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 27.91
RfactorNum. reflection% reflection
Rfree0.2659 5813 4.97 %
Rwork0.2391 --
obs0.2404 117037 98.19 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2.15→52.242 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12379 0 86 774 13239
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00412881
X-RAY DIFFRACTIONf_angle_d0.65817495
X-RAY DIFFRACTIONf_dihedral_angle_d15.7157611
X-RAY DIFFRACTIONf_chiral_restr0.0441736
X-RAY DIFFRACTIONf_plane_restr0.0032286
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.15-2.17440.32552190.29693666X-RAY DIFFRACTION98
2.1744-2.20.33811850.28523645X-RAY DIFFRACTION98
2.2-2.22680.33051960.28043615X-RAY DIFFRACTION97
2.2268-2.2550.33891680.27933669X-RAY DIFFRACTION96
2.255-2.28470.28982170.27763489X-RAY DIFFRACTION94
2.2847-2.3160.27871750.25893678X-RAY DIFFRACTION98
2.316-2.34910.28151860.26693757X-RAY DIFFRACTION99
2.3491-2.38420.27412060.26423775X-RAY DIFFRACTION99
2.3842-2.42140.31442050.27073695X-RAY DIFFRACTION99
2.4214-2.46110.28772020.2573712X-RAY DIFFRACTION99
2.4611-2.50350.26741860.25853793X-RAY DIFFRACTION99
2.5035-2.54910.26851840.26243690X-RAY DIFFRACTION99
2.5491-2.59810.3072030.25783747X-RAY DIFFRACTION99
2.5981-2.65110.30281900.26263799X-RAY DIFFRACTION100
2.6511-2.70880.29022010.25913710X-RAY DIFFRACTION99
2.7088-2.77180.3211680.27263691X-RAY DIFFRACTION98
2.7718-2.84110.28281880.26063670X-RAY DIFFRACTION97
2.8411-2.91790.2871650.24823636X-RAY DIFFRACTION96
2.9179-3.00380.28411590.24273638X-RAY DIFFRACTION95
3.0038-3.10070.28762130.24553765X-RAY DIFFRACTION100
3.1007-3.21150.28612050.23783743X-RAY DIFFRACTION100
3.2115-3.34010.27092030.23453754X-RAY DIFFRACTION100
3.3401-3.4920.24912300.23213711X-RAY DIFFRACTION99
3.492-3.67610.24072180.2153727X-RAY DIFFRACTION99
3.6761-3.90640.21391940.2063749X-RAY DIFFRACTION99
3.9064-4.20790.22391800.20813722X-RAY DIFFRACTION97
4.2079-4.63110.21952080.19563638X-RAY DIFFRACTION97
4.6311-5.30060.24191940.20593793X-RAY DIFFRACTION100
5.3006-6.67610.26062060.24673780X-RAY DIFFRACTION99
6.6761-52.25710.2961590.26933767X-RAY DIFFRACTION96
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
14.1274-0.6455-0.31093.65120.35532.3432-0.02990.06070.30430.12090.0396-0.3078-0.16660.33590.01260.2095-0.08960.0160.39230.0090.1953-25.86675.4644115.0049
23.7552-0.3441-0.77221.75070.01581.3977-0.10490.4433-0.1001-0.11010.02990.07860.02960.06260.06250.1813-0.02590.01290.2305-0.00060.1517-39.4096-1.6123111.1846
31.3341-0.23791.52242.2545-0.52817.14940.08270.1971-0.08250.27820.109-0.4959-0.04610.6905-0.19970.29610.0553-0.00590.34110.00320.441-17.9232-8.4967127.2823
43.4368-0.64330.85345.66360.1174.2766-0.2722-0.2236-0.70271.23410.4210.27960.54830.0545-0.17160.50870.1213-00.32670.03530.4097-21.2355-11.972144.6329
55.63320.17335.59036.1349-0.02795.6006-0.215-0.4749-0.0317-0.57980.81670.9334-0.2178-0.7974-0.47460.3454-0.0293-0.0280.6276-0.07690.4322-42.24756.2756132.6358
63.83140.4492.81342.97751.56445.15710.3675-0.2374-0.16480.31870.2161-0.3603-0.14170.4951-0.47970.2445-0.0278-0.02130.3092-0.04530.2434-17.16155.2004142.4688
77.5473-1.23463.82221.44160.4024.68510.0334-0.4560.12270.08080.1142-0.1056-0.03920.0426-0.12380.2696-0.05640.020.2599-0.01570.185-23.92926.6404136.3689
86.78262.63246.70242.76292.73136.9503-0.7224-0.08340.6465-0.24980.19750.5247-0.9414-0.00860.480.4102-0.0506-0.05980.2838-0.00370.2674-30.84814.4062134.3489
90.15170.26010.40292.41762.77493.23320.6018-0.10920.58330.0663-0.0326-0.5235-1.3560.8385-0.32790.838-0.22380.17140.474-0.06380.4277-20.890618.9931137.9227
103.8532.15211.63763.3490.70471.7504-0.55360.4465-0.3491-0.62050.1339-0.27130.13520.46770.34220.2682-0.09370.01690.2791-0.06180.1789-28.61687.0492123.981
113.98860.5273.83811.47231.21875.9498-0.09040.26070.09220.07390.1127-0.1458-0.16070.76560.0070.2259-0.02390.05330.2450.00910.2174-26.1985.7481131.3051
129.3333-1.42031.76514.53171.16493.84560.065-0.7710.17910.33720.4079-0.5163-0.35780.5354-0.31090.4105-0.00050.01930.4706-0.0850.306-15.498313.802152.0827
136.5013-0.0415.34431.12670.5516.4768-0.4050.26940.91580.3599-0.0247-0.2796-0.70340.0150.38180.4678-0.02790.04350.1973-0.02150.346-28.209414.6924141.6221
148.0862.9123.19385.51323.25082.2575-0.1139-0.80250.6289-0.5608-0.05010.1091-1.212-1.2070.20170.44040.07550.01060.41610.02290.3556-40.118813.889137.6923
157.7608-3.58993.0765.6887-1.62525.17520.023-0.4846-0.284-0.0990.35620.30430.2899-0.2756-0.26010.3324-0.00730.06250.3046-0.01030.2035-24.42397.2388147.8036
163.84040.25130.21021.69010.51122.4238-0.0132-0.13750.42760.0280.02510.2522-0.2924-0.3697-0.00840.24380.04410.04540.22930.0020.204414.52375.0592130.2052
174.05231.0691-0.8243.3576-0.95442.0202-0.0345-0.2981-0.25270.10820.0389-0.2159-0.01730.04790.00340.21330.05040.04330.20010.00140.191727.5314-5.7938129.9788
180.74490.23340.18612.0671-0.49294.06360.02140.0724-0.1138-0.58930.2270.30610.3371-0.2698-0.20670.3733-0.0369-0.05630.31890.12140.49787.5074-12.8027102.2086
195.91562.5878-1.4566.072-0.72874.88570.06550.2230.14980.45980.0023-1.7641-0.82080.79950.02760.469-0.0351-0.06560.37050.08880.634828.28225.3465109.9191
201.1798-1.00951.95243.8137-1.19463.52370.61360.4697-0.0411-0.1878-0.11550.5110.3961-0.2471-0.34150.3927-0.08460.08350.40360.06040.279612.17622.8411102.1744
212.3838-1.4720.83613.4546-0.97562.5320.06530.41520.1039-0.3244-0.09970.78530.6962-0.675-0.17080.3057-0.0635-0.0880.67760.17340.37742.54264.1775101.4345
223.8531-2.27424.38172.2647-2.8955.0127-0.2726-0.23060.3731-0.05010.072-0.20710.0515-0.44480.16540.3748-0.00860.09230.44260.03560.264817.307111.4932108.6796
230.3781-0.91671.25342.3355-3.06885.5005-0.1714-0.07780.53140.0756-0.1363-0.0621-0.5002-0.79470.09660.4470.20580.05780.72250.09870.45736.281317.0727104.5038
246.5085-0.72313.33133.2017-3.13355.09050.11-0.03280.3324-0.18470.1680.18310.2389-0.7506-0.29460.31620.00180.05730.31010.00930.235618.13731.752117.4279
257.1255-2.18622.186.9075-1.66556.0631-0.3245-0.24190.3298-0.33730.41680.84060.0698-0.896-0.17690.4010.03670.02110.45580.09320.36083.80169.287105.555
265.0009-0.74831.29534.3672-1.30536.465-0.07830.2119-0.1925-0.9690.49550.9175-0.1438-1.0245-0.30080.7039-0.0343-0.06360.60920.19710.55551.524311.456290.1637
272.62792.35922.09812.20731.93318.7949-0.1605-0.51640.73260.1164-0.11520.0552-0.8554-0.16330.16150.39830.01190.01160.37320.04760.259113.930213.272101.1094
282.0887-2.45581.61479.7247-2.07132.08140.01320.97311.1405-0.68740.1715-1.0771-1.14310.4266-0.08980.4536-0.0329-0.05860.51720.08870.513825.691913.3005104.9872
295.51771.81651.53885.990.14284.2902-0.19590.3026-0.3073-1.1451-0.071-0.18550.87210.25530.27970.550.06970.04960.53090.15630.300310.8755.474294.7286
304.96920.38310.5682.62290.00043.31520.06180.0535-0.28140.1608-0.1226-0.42790.18810.33480.05860.2930.08610.00420.24710.03920.2954-24.7154-46.4225130.6328
319.01960.96682.93591.6822-0.39072.65750.0531-0.43150.03480.2321-0.1202-0.13340.14250.14330.02170.3470.02890.04970.26080.01890.2219-33.8905-48.6037137.913
325.35562.11241.68483.71191.06991.8085-0.0710.0830.16290.2433-0.0155-0.2013-0.0550.16310.06160.30590.03620.01470.19680.05620.1735-36.0137-37.8236128.4645
334.56950.3871.43252.1842-0.63932.5091-0.2381-0.42340.35320.33210.0025-0.0318-0.2117-0.04990.24040.32950.0561-0.00040.2001-0.01860.2304-39.1441-34.1714134.454
341.91890.9453-1.1863.395-1.69341.1784-0.49440.4996-0.3284-0.44210.0197-0.6220.03960.37520.33480.34310.003-0.00690.7317-0.17870.7086-12.3735-32.0857109.4062
354.68260.17831.02315.1505-0.3124.48730.05371.18190.1062-1.33030.54630.9506-0.78550.6266-0.33160.9814-0.00160.04150.63220.12220.6522-18.2626-34.875291.8123
363.64180.6549-0.47946.4995-0.8344.7885-0.04740.190.7038-0.97190.1899-0.3044-0.26220.1435-0.16670.36520.01150.05770.3695-0.05320.5039-19.2893-28.8804101.6731
373.8529-1.0302-0.50453.07750.46272.8927-0.33720.1378-0.16790.05080.4429-0.2691-0.06660.279-0.10960.3240.0310.00680.324-0.07340.2061-19.6267-47.1954106.6372
387.0741-2.4752-5.44712.71752.38524.46-0.18930.1997-0.42550.40420.0735-0.01030.0261-0.19180.14190.35690.0525-0.00880.3082-0.02670.2329-28.3553-54.4211112.2165
392.7587-0.8846-2.40845.71953.2534.9196-0.4172-0.2677-0.68690.71890.4878-0.78661.40410.45020.07060.48550.17460.05090.5363-0.01810.4726-16.8302-60.0514109.701
407.8332-1.2049-3.19512.39792.65424.2583-0.2293-0.6933-0.43260.10450.38180.24310.19820.685-0.12240.32250.06290.02270.26150.0470.1848-30.3382-44.1669120.1599
416.6906-2.3671-4.76264.24911.92185.13360.1025-0.3688-0.45110.45370.3521-0.3722-0.07060.7819-0.41010.31260.1696-0.03240.6038-0.10110.276-14.6069-51.9044110.259
427.894-1.8155-4.86482.70511.33676.3313-0.7739-0.5177-0.2447-0.0730.48020.1070.40540.77870.16730.36180.0513-0.00170.3584-0.07870.2562-17.6515-56.264100.9191
437.2366-2.2689-1.66764.40894.54438.4842-0.04490.3904-0.2440.27740.13620.19180.6113-0.66690.14890.4046-0.03890.15420.38910.06090.4542-36.3143-57.0167107.8139
443.15033.1982-3.44335.9918-1.39225.3349-0.22010.63540.4152-0.77890.42830.12320.1422-0.0851-0.22310.27460.05660.00570.41120.00990.2853-20.4357-49.598898.8363
452.8922-1.01750.40083.4517-0.45621.3985-0.0040.2862-0.128-0.74380.06250.46030.1286-0.2197-0.03760.3843-0.0717-0.08080.29660.00330.223122.0491-42.5302110.9645
463.8693-0.5447-0.56757.2939-0.63364.5089-0.2403-0.4570.50770.84050.42730.1824-0.3332-0.0408-0.18480.37380.03550.01160.3510.04640.43255.6046-31.1587142.1663
476.5245-1.6135-5.48723.71541.30948.8948-0.2816-0.0349-0.2494-0.70520.3795-0.7149-0.21960.7428-0.0550.3595-0.07510.09820.35140.07440.394328.4767-48.6149132.1776
483.39730.7491-1.35212.8398-0.9463.6894-0.1702-0.12050.2844-0.06820.37120.4752-0.0135-0.3388-0.16890.2228-0.0051-0.05240.24190.05330.2762.5135-47.6459138.9926
492.48221.0313-2.81521.5165-0.98293.1284-0.2723-0.00740.2665-0.34170.21570.102-0.0003-0.13710.05530.2317-0.017-0.01340.19980.05340.22089.9345-49.0297133.6529
504.66782.9522-5.74373.2171-3.04776.7887-0.76210.1083-1.2151-0.49650.063-0.19830.72360.12190.50430.31520.00230.06290.28830.06320.309317.0424-56.9819132.2436
513.59610.7972-1.73033.2928-2.77139.60020.0910.5694-0.2616-0.80010.35410.54231.1971-0.1724-0.14440.5233-0.1251-0.03380.3083-0.02220.31067.0221-61.4649134.6601
525.7121.9322-3.93911.2339-1.97412.78390.02760.2773-0.0768-0.16690.07310.0706-0.0351-0.2345-0.06660.3072-0.0237-0.01790.24060.02920.230313.7889-48.5565127.0021
537.5691.31650.392.4895-2.60695.1316-0.2621-0.8049-0.42650.77710.090.5460.6399-0.00930.18840.3325-0.02190.04450.31420.04130.2627-0.4673-56.485147.6173
544.61710.6044-6.42470.6954-0.70848.8643-0.2086-0.7034-1.172-0.2994-0.2117-0.09370.32560.45210.30.2569-0.0089-0.03140.25520.09760.299414.6115-57.5737138.4508
557.47680.57241.50047.2159-3.98159.93720.1101-0.4466-1.3076-0.4808-0.02-0.29490.55311.0071-0.05910.34810.11380.0640.3810.05370.389425.6634-56.8024136.7061
566.6855-1.2175-1.71294.5271-0.10444.0181-0.1056-0.35450.04630.12910.13330.1656-0.6380.521-0.08190.3251-0.06370.00840.37670.05640.20398.9594-50.0253144.8769
573.4899-0.4343-0.91526.2114-0.70076.65240.2405-0.4839-0.20910.5578-0.2947-0.16570.4504-0.66680.07760.3195-0.02480.06960.28320.02250.3320.4699-1.4682138.3224
582.88192.8441-0.03275.5369-1.76613.919-0.24150.0845-0.0675-0.39760.50870.07480.1721-0.2277-0.30370.7513-0.174-0.11210.41580.08040.384123.5477-41.6068103.2767
596.4040.0799-1.9236.29030.61074.57950.54670.64870.2250.1198-0.03480.2048-0.6552-0.0251-0.62240.3736-0.01370.00440.39010.04440.1769-34.7026-0.5496104.4058
600.5951-1.567-1.516.65660.66327.8566-0.194-0.21410.3648-0.13990.7972-0.09-0.02870.9166-0.47540.30280.0001-0.07640.4398-0.01350.2753-34.4506-40.2972140.3299
612.3023-0.15140.98081.8209-1.71656.6390.14960.28570.1401-0.0981-0.46330.2499-0.09820.01690.2110.5180.2076-0.0420.70560.04291.1035-45.98093.9605107.1172
620.89180.14612.40280.01790.39286.41140.2061-0.25460.0220.2480.2502-0.35910.14320.4039-0.33930.5404-0.0626-0.08010.6825-0.05480.722133.71653.279137.2005
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 56 )
2X-RAY DIFFRACTION2chain 'A' and (resid 57 through 162 )
3X-RAY DIFFRACTION3chain 'A' and (resid 163 through 198 )
4X-RAY DIFFRACTION4chain 'A' and (resid 199 through 275 )
5X-RAY DIFFRACTION5chain 'B' and (resid 0 through 5 )
6X-RAY DIFFRACTION6chain 'B' and (resid 6 through 19 )
7X-RAY DIFFRACTION7chain 'B' and (resid 20 through 30 )
8X-RAY DIFFRACTION8chain 'B' and (resid 31 through 41 )
9X-RAY DIFFRACTION9chain 'B' and (resid 42 through 51 )
10X-RAY DIFFRACTION10chain 'B' and (resid 52 through 56 )
11X-RAY DIFFRACTION11chain 'B' and (resid 57 through 71 )
12X-RAY DIFFRACTION12chain 'B' and (resid 72 through 77 )
13X-RAY DIFFRACTION13chain 'B' and (resid 78 through 83 )
14X-RAY DIFFRACTION14chain 'B' and (resid 84 through 90 )
15X-RAY DIFFRACTION15chain 'B' and (resid 91 through 99 )
16X-RAY DIFFRACTION16chain 'C' and (resid 1 through 84 )
17X-RAY DIFFRACTION17chain 'C' and (resid 85 through 162 )
18X-RAY DIFFRACTION18chain 'C' and (resid 163 through 276 )
19X-RAY DIFFRACTION19chain 'D' and (resid 0 through 5 )
20X-RAY DIFFRACTION20chain 'D' and (resid 6 through 11 )
21X-RAY DIFFRACTION21chain 'D' and (resid 12 through 28 )
22X-RAY DIFFRACTION22chain 'D' and (resid 29 through 41 )
23X-RAY DIFFRACTION23chain 'D' and (resid 42 through 51 )
24X-RAY DIFFRACTION24chain 'D' and (resid 52 through 63 )
25X-RAY DIFFRACTION25chain 'D' and (resid 64 through 71 )
26X-RAY DIFFRACTION26chain 'D' and (resid 72 through 77 )
27X-RAY DIFFRACTION27chain 'D' and (resid 78 through 83 )
28X-RAY DIFFRACTION28chain 'D' and (resid 84 through 90 )
29X-RAY DIFFRACTION29chain 'D' and (resid 91 through 99 )
30X-RAY DIFFRACTION30chain 'E' and (resid 1 through 56 )
31X-RAY DIFFRACTION31chain 'E' and (resid 57 through 84 )
32X-RAY DIFFRACTION32chain 'E' and (resid 85 through 118 )
33X-RAY DIFFRACTION33chain 'E' and (resid 119 through 173 )
34X-RAY DIFFRACTION34chain 'E' and (resid 174 through 193 )
35X-RAY DIFFRACTION35chain 'E' and (resid 194 through 206 )
36X-RAY DIFFRACTION36chain 'E' and (resid 207 through 276 )
37X-RAY DIFFRACTION37chain 'F' and (resid 1 through 28 )
38X-RAY DIFFRACTION38chain 'F' and (resid 29 through 41 )
39X-RAY DIFFRACTION39chain 'F' and (resid 42 through 51 )
40X-RAY DIFFRACTION40chain 'F' and (resid 52 through 63 )
41X-RAY DIFFRACTION41chain 'F' and (resid 64 through 71 )
42X-RAY DIFFRACTION42chain 'F' and (resid 72 through 83 )
43X-RAY DIFFRACTION43chain 'F' and (resid 84 through 90 )
44X-RAY DIFFRACTION44chain 'F' and (resid 91 through 99 )
45X-RAY DIFFRACTION45chain 'G' and (resid 1 through 174 )
46X-RAY DIFFRACTION46chain 'G' and (resid 175 through 276 )
47X-RAY DIFFRACTION47chain 'H' and (resid 0 through 5 )
48X-RAY DIFFRACTION48chain 'H' and (resid 6 through 19 )
49X-RAY DIFFRACTION49chain 'H' and (resid 20 through 30 )
50X-RAY DIFFRACTION50chain 'H' and (resid 31 through 41 )
51X-RAY DIFFRACTION51chain 'H' and (resid 42 through 51 )
52X-RAY DIFFRACTION52chain 'H' and (resid 52 through 71 )
53X-RAY DIFFRACTION53chain 'H' and (resid 72 through 77 )
54X-RAY DIFFRACTION54chain 'H' and (resid 78 through 83 )
55X-RAY DIFFRACTION55chain 'H' and (resid 84 through 90 )
56X-RAY DIFFRACTION56chain 'H' and (resid 91 through 99 )
57X-RAY DIFFRACTION57chain 'I' and (resid 1 through 7 )
58X-RAY DIFFRACTION58chain 'J' and (resid 1 through 7 )
59X-RAY DIFFRACTION59chain 'K' and (resid 1 through 7 )
60X-RAY DIFFRACTION60chain 'L' and (resid 1 through 7 )
61X-RAY DIFFRACTION61chain 'P' and (resid 0 through 3 )
62X-RAY DIFFRACTION62chain 'R' and (resid 0 through 4 )

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