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- PDB-4pji: Structure of human MR1-Ac-6-FP in complex with human MAIT C-C10 TCR -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 4pji
TitleStructure of human MR1-Ac-6-FP in complex with human MAIT C-C10 TCR
Components
  • Beta-2-microglobulin
  • Major histocompatibility complex class I-related gene protein
  • TCR-alpha
  • TCR-beta
KeywordsIMMUNE SYSTEM / MR1 / TCR / Immune complex / Ac-6-FP
Function / homology
Function and homology information


positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / T cell receptor binding / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / positive regulation of receptor binding / early endosome lumen ...positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / T cell receptor binding / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / negative regulation of receptor binding / DAP12 interactions / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / cellular response to iron(III) ion / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / negative regulation of forebrain neuron differentiation / regulation of erythrocyte differentiation / peptide antigen assembly with MHC class I protein complex / ER to Golgi transport vesicle membrane / regulation of iron ion transport / response to molecule of bacterial origin / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / MHC class I protein complex / negative regulation of neurogenesis / positive regulation of receptor-mediated endocytosis / peptide antigen assembly with MHC class II protein complex / multicellular organismal-level iron ion homeostasis / MHC class II protein complex / cellular response to nicotine / specific granule lumen / positive regulation of cellular senescence / positive regulation of T cell mediated cytotoxicity / recycling endosome membrane / phagocytic vesicle membrane / peptide antigen binding / antigen processing and presentation of exogenous peptide antigen via MHC class II / negative regulation of epithelial cell proliferation / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / positive regulation of immune response / Interferon gamma signaling / Modulation by Mtb of host immune system / positive regulation of T cell activation / sensory perception of smell / negative regulation of neuron projection development / positive regulation of protein binding / tertiary granule lumen / DAP12 signaling / MHC class II protein complex binding / late endosome membrane / iron ion transport / ER-Phagosome pathway / T cell differentiation in thymus / early endosome membrane / protein refolding / defense response to Gram-negative bacterium / protein homotetramerization / intracellular iron ion homeostasis / amyloid fibril formation / learning or memory / defense response to Gram-positive bacterium / immune response / Amyloid fiber formation / endoplasmic reticulum lumen / lysosomal membrane / Golgi membrane / external side of plasma membrane / innate immune response / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / Golgi apparatus / endoplasmic reticulum / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane / cytosol
Similarity search - Function
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 / : ...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
Chem-30W / Beta-2-microglobulin / Major histocompatibility complex class I-related gene protein
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.5 Å
AuthorsBirkinshaw, R.W. / Rossjohn, J.
CitationJournal: J.Exp.Med. / Year: 2014
Title: A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
Authors: Eckle, S.B. / Birkinshaw, R.W. / Kostenko, L. / Corbett, A.J. / McWilliam, H.E. / Reantragoon, R. / Chen, Z. / Gherardin, N.A. / Beddoe, T. / Liu, L. / Patel, O. / Meehan, B. / Fairlie, D.P. ...Authors: Eckle, S.B. / Birkinshaw, R.W. / Kostenko, L. / Corbett, A.J. / McWilliam, H.E. / Reantragoon, R. / Chen, Z. / Gherardin, N.A. / Beddoe, T. / Liu, L. / Patel, O. / Meehan, B. / Fairlie, D.P. / Villadangos, J.A. / Godfrey, D.I. / Kjer-Nielsen, L. / McCluskey, J. / Rossjohn, J.
History
DepositionMay 12, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 2, 2014Provider: repository / Type: Initial release
Revision 1.1Aug 6, 2014Group: Database references
Revision 1.2Oct 1, 2014Group: Database references
Revision 1.3Dec 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description / Source and taxonomy / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / diffrn_source / entity_src_gen / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_conn_angle / pdbx_struct_oper_list / refine_hist / struct_keywords
Item: _citation.journal_id_CSD / _database_2.pdbx_DOI ..._citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _diffrn_source.pdbx_synchrotron_site / _entity_src_gen.pdbx_alt_source_flag / _pdbx_database_status.pdb_format_compatible / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation / _refine_hist.number_atoms_solvent / _refine_hist.number_atoms_total / _refine_hist.pdbx_number_atoms_ligand / _refine_hist.pdbx_number_atoms_nucleic_acid / _struct_keywords.pdbx_keywords
Revision 1.4Oct 30, 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
A: Major histocompatibility complex class I-related gene protein
B: Beta-2-microglobulin
C: Major histocompatibility complex class I-related gene protein
D: Beta-2-microglobulin
E: TCR-alpha
F: TCR-beta
G: TCR-alpha
H: TCR-beta
hetero molecules


Theoretical massNumber of molelcules
Total (without water)188,68112
Polymers188,1008
Non-polymers5814
Water8,719484
1
A: Major histocompatibility complex class I-related gene protein
B: Beta-2-microglobulin
G: TCR-alpha
H: TCR-beta
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,3987
Polymers94,0504
Non-polymers3483
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Major histocompatibility complex class I-related gene protein
D: Beta-2-microglobulin
E: TCR-alpha
F: TCR-beta
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,2835
Polymers94,0504
Non-polymers2331
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)217.690, 71.020, 144.980
Angle α, β, γ (deg.)90.00, 104.76, 90.00
Int Tables number5
Space group name H-MC121

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Components

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Protein , 4 types, 8 molecules ACBDEGFH

#1: Protein Major histocompatibility complex class I-related gene protein / MHC class I-related gene protein / Class I histocompatibility antigen-like protein


Mass: 31711.670 Da / Num. of mol.: 2 / Fragment: UNP residues 23-292 / Mutation: C261S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MR1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q95460
#2: Protein Beta-2-microglobulin


Mass: 11879.356 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli (E. coli) / References: UniProt: P61769
#3: Protein TCR-alpha


Mass: 22889.367 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: Protein TCR-beta


Mass: 27569.600 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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Non-polymers , 4 types, 488 molecules

#5: Chemical ChemComp-30W / N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide / Acetyl 6-formylpterin


Mass: 233.184 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C9H7N5O3
#6: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 484 / 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

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Sample preparation

CrystalDensity Matthews: 2.88 Å3/Da / Density % sol: 57.3 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: PEG 3350, Bis-tris propane, sodium acetate

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 15, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.95 Å / Relative weight: 1
ReflectionResolution: 2.5→75.5 Å / Num. obs: 73918 / % possible obs: 99.3 % / Redundancy: 2.5 % / Biso Wilson estimate: 41.58 Å2 / Net I/σ(I): 11

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Processing

SoftwareName: BUSTER / Version: 2.10.0 / Classification: refinement
RefinementResolution: 2.5→36.6 Å / Cor.coef. Fo:Fc: 0.9264 / Cor.coef. Fo:Fc free: 0.8987 / SU R Cruickshank DPI: 0.363 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.357 / SU Rfree Blow DPI: 0.235 / SU Rfree Cruickshank DPI: 0.239
RfactorNum. reflection% reflectionSelection details
Rfree0.2276 3726 5.04 %RANDOM
Rwork0.188 ---
obs0.19 73892 99.15 %-
Displacement parametersBiso mean: 31.79 Å2
Baniso -1Baniso -2Baniso -3
1--0.617 Å20 Å20.3473 Å2
2--0.1413 Å20 Å2
3---0.4757 Å2
Refine analyzeLuzzati coordinate error obs: 0.315 Å
Refinement stepCycle: 1 / Resolution: 2.5→36.6 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12484 0 39 484 13007
Refine LS restraints
Refine-IDTypeDev idealNumberRestraint functionWeight
X-RAY DIFFRACTIONt_bond_d0.0112884HARMONIC2
X-RAY DIFFRACTIONt_angle_deg1.0917556HARMONIC2
X-RAY DIFFRACTIONt_dihedral_angle_d5706SINUSOIDAL2
X-RAY DIFFRACTIONt_incorr_chiral_ct
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_trig_c_planes319HARMONIC2
X-RAY DIFFRACTIONt_gen_planes1906HARMONIC5
X-RAY DIFFRACTIONt_it12884HARMONIC20
X-RAY DIFFRACTIONt_nbd0SEMIHARMONIC5
X-RAY DIFFRACTIONt_omega_torsion3.66
X-RAY DIFFRACTIONt_other_torsion2.82
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_chiral_improper_torsion1642SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact13719SEMIHARMONIC4
LS refinement shellResolution: 2.5→2.56 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.2925 286 5.25 %
Rwork0.2219 5163 -
all0.2257 5449 -
obs--99.15 %
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)
10.4760.4852-0.11121.40770.35311.42040.04010.07880.0341-0.0633-0.09070.2172-0.13980.00040.0506-0.0764-0.00150.0243-0.0105-0.0281-0.0505211.264967.3933162.2812
22.3530.5431-0.13093.8018-0.47570.57280.052-0.0867-0.18060.1742-0.0586-0.29360.07280.14670.0066-0.0484-0.02630.0072-0.0348-0.0234-0.1649219.051860.4341172.7733
31.43890.2337-0.12221.41290.68090.9658-0.0187-0.1144-0.05070.0575-0.02470.14480.1638-0.0660.0435-0.0267-0.00220.0408-0.0202-0.01710.0018195.20176.3652193.2143
42.387-0.312-0.30162.44021.02381.8613-0.04490.32870.0759-0.2688-0.10710.3508-0.1495-0.36390.1521-0.10210.0015-0.0036-0.0036-0.0019-0.0677187.924169.4774172.6932
51.23330.4507-0.20311.57110.06570.9280.0643-0.1220.16060.0718-0.00130.19380.0661-0.1283-0.063-0.0970.0178-0.02840.0605-0.0017-0.0406167.484246.403194.6202
62.47681.41510.15953.90970.41580.33330.06350.04470.0674-0.21880.0486-0.33360.00760.0358-0.1121-0.0846-0.0050.0057-0.0121-0.0086-0.0732178.686751.6535183.2067
7-0.1938-0.89620.3212.2392-0.79370.35570.18850.0854-0.3783-0.02010.0007-0.13340.2063-0.098-0.1892-0.07040.0155-0.0272-0.0114-0.0107-0.1252169.398734.9059183.1733
82.6637-1.01811.13051.5883-0.11374.2038-0.13490.11960.5826-0.1026-0.0477-0.0384-0.49420.21240.1826-0.0749-0.0853-0.08650.0250.08860.0383148.969448.6822164.1921
97.6883-0.15720.39822.75720.60452.3886-0.1531-0.17550.9453-0.09440.01090.5855-0.3228-0.48030.1423-0.23810.0788-0.0387-0.0569-0.00110.0064148.166158.5547184.3114
100.0886-2.6908-0.07622.6313-0.1886-0.04380.0623-0.2152-0.1117-0.13350.03350.1619-0.161-0.1016-0.0958-0.02070.0066-0.0045-0.0241-0.01820.0035197.901118.6732198.1325
110.9886-0.3165-0.41542.00540.01772.3524-0.0557-0.2105-0.0565-0.02750.15220.0593-0.0951-0.0728-0.0965-0.11430.0414-0.0157-0.0831-0.0515-0.1123191.708428.7543196.1007
125.5677-1.84983.39143.2442-3.26794.00670.00660.32830.0455-0.3045-0.2128-0.2453-0.1324-0.0950.20620.01410.05990.0710.0503-0.043-0.0163196.249427.4108188.1989
131.28-1.70771.87792.3889-0.6450.9007-0.044-0.1258-0.1482-0.05790.1273-0.0624-0.0568-0.1396-0.0833-0.00120.07480.03270.1212-0.0248-0.0647195.433226.3371199.7946
143.7774-1.12992.6791.18814.50181.1495-0.01090.60020.26350.073-0.146-0.0828-0.00950.05770.1569-0.14070.0058-0.008-0.0199-0.0005-0.0385223.196114.0967210.4287
151.18270.3603-2.08873.1453.1455-1.18270.05280.0267-0.21290.2321-0.0326-0.08790.08760.036-0.02020.08420.01740.0114-0.0443-0.0055-0.0032218.434814.1892227.7388
164.76732.52612.09435.51692.62321.08450.0930.4521-0.21440.139-0.37670.26320.4717-0.32890.28380.0765-0.0160.0006-0.0104-0.1439-0.0082212.71568.3766213.2258
174.6357-0.5111-0.96542.06881.34552.686-0.1870.3836-0.16650.31830.1238-0.31290.0792-0.33980.0631-0.0392-0.03450.0462-0.04-0.10480.0304216.234214.6699218.036
180.61042.8413-1.30029.5680.79181.07740.0579-0.0235-0.42130.2199-0.0237-0.2940.3569-0.0555-0.03410.0464-0.00320.0713-0.0156-0.0807-0.0278221.84324.6895214.7785
192.8119-1.34170.77814.0251-2.42652.1982-0.1007-0.41230.0620.0782-0.055-0.1304-0.2186-0.06770.1557-0.1120.06660.00320.0611-0.0649-0.1678183.523134.625214.6474
203.1727-0.79970.7624.6639-2.96441.8022-0.0693-0.39920.22250.19730.0897-0.0132-0.2696-0.1176-0.0204-0.04110.09140.00940.1022-0.0858-0.1392183.969136.497213.7359
21-0.61040.09241.06570.9954-0.15310.70340.11720.1731-0.1710.0552-0.04540.013-0.1057-0.2459-0.0718-0.0836-0.01510.0126-0.0254-0.0461-0.1104209.052620.6145226.8306
224.85260.7358-1.30381.36570.392.0081-0.03710.3776-0.1478-0.1181-0.00630.0804-0.057-0.35460.0434-0.09580.01490.0091-0.0264-0.0222-0.1249210.509622.7631222.8587
235.72121.1565-3.18480.4913-0.06183.10050.25640.0856-0.06720.0451-0.1493-0.0111-0.2535-0.2663-0.1071-0.01870.0330.0078-0.0657-0.0286-0.0745207.371928.7377233.5201
242.20090.41771.31781.3212-0.43150.54160.01050.06690.1213-0.0530.0649-0.08190.11860.1879-0.0754-0.0258-0.00280.00530.09710.05150.0291251.901671.8402159.2757
252.87990.7911-0.49050.6342-0.85832.44860.0556-0.00250.0731-0.04590.0614-0.04060.12140.0329-0.117-0.1175-0.03730.0075-0.02880.0174-0.1368241.105466.6842160.8337
263.32720.5077-0.52780-0.01330.7794-0.02150.0253-0.18790.1077-0.07090.00880.09860.16230.0924-0.04190.0096-0.00430.05940.02-0.0959244.28465.9121163.0642
271.22721.6337-2.787501.30733.4813-0.04040.0743-0.25680.02930.1918-0.36160.37740.4281-0.1513-0.14880.0714-0.02620.20640.0189-0.0027266.522964.657153.3768
28-0.0537-2.46460.64495.16763.29320.34350.08430.35940.0428-0.0777-0.1032-0.3446-0.02760.26170.0189-0.15560.05560.10060.18180.0357-0.03274.501764.5351135.1231
291.95750.20751.94632.01331.82330.8897-0.06470.00850.30260.22040.09330.1065-0.07630.0602-0.02860.0128-0.03060.06630.0972-0.1468-0.0069270.465670.9741147.7107
307.85692.11841.699105.48064.6544-0.0835-0.14150.45250.34420.3115-0.14080.2790.1108-0.228-0.08510.0798-0.04610.0221-0.0396-0.0335266.725765.3396141.5542
311.2085-2.11094.2343.2514-1.89132.1472-0.32210.18020.70290.13490.2826-0.34060.12070.42950.0395-0.30310.0557-0.00650.03960.02290.0571272.087469.7911136.7624
322.93312.69270.84731.3819-2.47441.2764-0.01590.02490.0870.0226-0.0042-0.1305-0.03560.13030.0201-0.3290.0392-0.06220.0122-0.01210.3661280.610970.2146142.3979
333.52770.6164-2.08812.1252-1.14692.663-0.02090.16160.0136-0.0745-0.0453-0.08580.1649-0.08180.0662-0.0853-0.0218-0.0089-0.030.0224-0.1215230.972767.6368142.1004
344.05631.1742-1.17112.5596-1.38982.17150.0867-0.043-0.0675-0.0248-0.12970.0906-0.0385-0.03920.043-0.0261-0.06350.00220.0086-0.0227-0.1316230.106664.3614145.0347
35-0.1901-0.82131.590504.19241.1564-0.07620.04380.4064-0.1850.1784-0.0616-0.0389-0.2095-0.1021-0.11340.01640.0478-0.07490.0852-0.1161244.818772.4348126.1916
365.1661-2.05182.9012.9605-2.20975.81570.19840.1803-0.1492-0.04280.0004-0.37090.91120.8083-0.19880.02370.1562-0.0114-0.0763-0.0725-0.0999264.502959.7333133.223
372.0027-1.44151.7298.5459-4.36316.82160.0293-0.21850.19520.47330.197-0.26290.13490.0234-0.2263-0.0892-0.0102-0.0749-0.14890.0236-0.0725257.248666.9548134.6551
384.9981-0.44523.2910.4617-3.73353.64640.12470.0409-0.30440.32410.2679-0.22220.66570.4928-0.39260.17590.2289-0.1540.002-0.0722-0.1312267.29156.1277136.4451
390.3742-2.4066-0.594611.28191.2975.3064-0.01770.2606-0.04280.30770.5131-0.15270.7252-0.1265-0.49540.03220.0228-0.0077-0.1294-0.0159-0.104252.760157.6331125.9037
404.5845-1.1741-1.62414.99585.45912.8204-0.00490.217-0.3087-0.13030.2072-0.10390.21940.5152-0.20240.06250.03130.0076-0.1374-0.0608-0.142253.837659.9709121.5235
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1{A|1 - 84}
2X-RAY DIFFRACTION2{A|85 - 171}
3X-RAY DIFFRACTION3{A|172 - 269}
4X-RAY DIFFRACTION4{B|0 - 98}
5X-RAY DIFFRACTION5{C|1 - 84}
6X-RAY DIFFRACTION6{C|85 - 146}
7X-RAY DIFFRACTION7{C|147 - 182}
8X-RAY DIFFRACTION8{C|183 - 269}
9X-RAY DIFFRACTION9{D|0 - 98}
10X-RAY DIFFRACTION10{E|2 - 17}
11X-RAY DIFFRACTION11{E|18 - 52}
12X-RAY DIFFRACTION12{E|53 - 75}
13X-RAY DIFFRACTION13{E|76 - 108}
14X-RAY DIFFRACTION14{E|109 - 120}
15X-RAY DIFFRACTION15{E|121 - 135}
16X-RAY DIFFRACTION16{E|136 - 150}
17X-RAY DIFFRACTION17{E|151 - 185}
18X-RAY DIFFRACTION18{E|186 - 199}
19X-RAY DIFFRACTION19{F|3 - 63}
20X-RAY DIFFRACTION20{F|64 - 107}
21X-RAY DIFFRACTION21{F|108 - 138}
22X-RAY DIFFRACTION22{F|139 - 201}
23X-RAY DIFFRACTION23{F|202 - 242}
24X-RAY DIFFRACTION24{G|2 - 17}
25X-RAY DIFFRACTION25{G|18 - 52}
26X-RAY DIFFRACTION26{G|53 - 102}
27X-RAY DIFFRACTION27{G|103 - 116}
28X-RAY DIFFRACTION28{G|117 - 135}
29X-RAY DIFFRACTION29{G|136 - 145}
30X-RAY DIFFRACTION30{G|146 - 166}
31X-RAY DIFFRACTION31{G|167 - 187}
32X-RAY DIFFRACTION32{G|188 - 199}
33X-RAY DIFFRACTION33{H|3 - 64}
34X-RAY DIFFRACTION34{H|65 - 107}
35X-RAY DIFFRACTION35{H|108 - 122}
36X-RAY DIFFRACTION36{H|123 - 160}
37X-RAY DIFFRACTION37{H|161 - 186}
38X-RAY DIFFRACTION38{H|187 - 201}
39X-RAY DIFFRACTION39{H|202 - 223}
40X-RAY DIFFRACTION40{H|224 - 240}

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