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- PDB-7k80: KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW p... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 7k80
TitleKIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide
Components
  • ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP
  • Beta-2-microglobulin
  • Killer cell immunoglobulin-like receptor 3DL1
  • MHC class I antigen
KeywordsIMMUNE SYSTEM / KIR receptor / HLA / peptide presentation
Function / homology
Function and homology information


Nef mediated downregulation of CD28 cell surface expression / HLA-B specific inhibitory MHC class I receptor activity / Late Phase of HIV Life Cycle / Nef Mediated CD8 Down-regulation / immune response-regulating signaling pathway / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class I / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class II / symbiont-mediated suppression of host autophagy / Nef Mediated CD4 Down-regulation / Nef and signal transduction ...Nef mediated downregulation of CD28 cell surface expression / HLA-B specific inhibitory MHC class I receptor activity / Late Phase of HIV Life Cycle / Nef Mediated CD8 Down-regulation / immune response-regulating signaling pathway / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class I / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class II / symbiont-mediated suppression of host autophagy / Nef Mediated CD4 Down-regulation / Nef and signal transduction / natural killer cell mediated cytotoxicity / Uncoating of the HIV Virion / host cell Golgi membrane / antigen processing and presentation of peptide antigen via MHC class I / Binding and entry of HIV virion / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / transferrin transport / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / lumenal side of endoplasmic reticulum membrane / cellular response to iron(III) ion / MHC class II protein complex / negative regulation of forebrain neuron differentiation / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / Assembly Of The HIV Virion / regulation of iron ion transport / regulation of erythrocyte differentiation / HFE-transferrin receptor complex / response to molecule of bacterial origin / MHC class I peptide loading complex / Budding and maturation of HIV virion / T cell mediated cytotoxicity / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / MHC class I protein complex / positive regulation of T cell activation / peptide antigen binding / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / cellular response to nicotine / virion component / positive regulation of T cell mediated cytotoxicity / multicellular organismal-level iron ion homeostasis / SH3 domain binding / specific granule lumen / phagocytic vesicle membrane / recycling endosome membrane / Interferon gamma signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / MHC class II protein complex binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / positive regulation of cellular senescence / tertiary granule lumen / DAP12 signaling / T cell differentiation in thymus / negative regulation of neuron projection development / ER-Phagosome pathway / protein refolding / early endosome membrane / protein homotetramerization / amyloid fibril formation / molecular adaptor activity / intracellular iron ion homeostasis / learning or memory / immune response / endoplasmic reticulum lumen / Amyloid fiber formation / Golgi membrane / lysosomal membrane / external side of plasma membrane / focal adhesion / Neutrophil degranulation / GTP binding / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / structural molecule activity / cell surface / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / metal ion binding / identical protein binding / membrane / plasma membrane / cytosol
Similarity search - Function
HIV-1 Nef protein, anchor domain superfamily / HIV negative factor Nef / HIV-1 Nef protein, core domain superfamily / Negative factor, (F-Protein) or Nef / : / Immunoglobulin / Immunoglobulin domain / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I alpha chain, alpha1 alpha2 domains ...HIV-1 Nef protein, anchor domain superfamily / HIV negative factor Nef / HIV-1 Nef protein, core domain superfamily / Negative factor, (F-Protein) or Nef / : / Immunoglobulin / Immunoglobulin domain / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / 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 subtype / Immunoglobulin / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
ACETATE ION / FORMIC ACID / MHC class I antigen / MHC class I antigen / Protein Nef / Killer cell immunoglobulin-like receptor 3DL1 / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsMacLachlan, B.J. / Rossjohn, J. / Vivian, J.P.
CitationJournal: J Immunol. / Year: 2021
Title: The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
Authors: Saunders, P.M. / MacLachlan, B.J. / Widjaja, J. / Wong, S.C. / Oates, C.V.L. / Rossjohn, J. / Vivian, J.P. / Brooks, A.G.
History
DepositionSep 24, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 9, 2020Provider: repository / Type: Initial release
Revision 1.1Jan 27, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Feb 17, 2021Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Oct 18, 2023Group: 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
Revision 1.4Oct 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 I antigen
B: Beta-2-microglobulin
C: ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP
D: MHC class I antigen
E: Beta-2-microglobulin
F: ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP
G: Killer cell immunoglobulin-like receptor 3DL1
H: Killer cell immunoglobulin-like receptor 3DL1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)156,99619
Polymers155,5488
Non-polymers1,44711
Water3,513195
1
A: MHC class I antigen
B: Beta-2-microglobulin
C: ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP
G: Killer cell immunoglobulin-like receptor 3DL1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,5439
Polymers77,7744
Non-polymers7695
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: MHC class I antigen
E: Beta-2-microglobulin
F: ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP
H: Killer cell immunoglobulin-like receptor 3DL1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,45310
Polymers77,7744
Non-polymers6796
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)51.265, 85.017, 94.832
Angle α, β, γ (deg.)82.47, 85.97, 77.92
Int Tables number1
Space group name H-MP1

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Components

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Protein , 3 types, 6 molecules ADBEGH

#1: Protein MHC class I antigen


Mass: 31778.117 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-A / Plasmid: pET-30 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: A0A411J078, UniProt: A0A5H2UYS3*PLUS
#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 / Plasmid: pET-30 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: P61769
#4: Protein Killer cell immunoglobulin-like receptor 3DL1 / CD158 antigen-like family member E / HLA-BW4-specific inhibitory NK cell receptor / MHC class I NK ...CD158 antigen-like family member E / HLA-BW4-specific inhibitory NK cell receptor / MHC class I NK cell receptor / Natural killer-associated transcript 3 / NKAT-3 / p70 natural killer cell receptor clones CL-2/CL-11 / p70 NK receptor CL-2/CL-11


Mass: 33076.461 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: KIR3DL1, CD158E, NKAT3, NKB1 / Cell line (production host): HEK293S / Production host: Homo sapiens (human) / References: UniProt: P43629

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Protein/peptide / Sugars , 2 types, 7 molecules CF

#3: Protein/peptide ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP


Mass: 1040.195 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) / References: UniProt: P04601*PLUS
#7: 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.: 5 / 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, 201 molecules

#5: Chemical ChemComp-FMT / FORMIC ACID


Mass: 46.025 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: CH2O2
#6: Chemical
ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 5 / Source method: isolated from a natural source / Formula: C2H3O2
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 195 / 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: 2.63 Å3/Da / Density % sol: 53.18 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.6
Details: 14% PEG 3350, 2% tacsimate, pH 5.0, and 0.1 M trisodium citrate, pH 5.6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.954 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: May 5, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.954 Å / Relative weight: 1
ReflectionResolution: 2.4→43.09 Å / Num. obs: 58740 / % possible obs: 97 % / Redundancy: 1.9 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 13.4
Reflection shellResolution: 2.4→2.49 Å / Redundancy: 1.8 % / Rmerge(I) obs: 0.47 / Num. unique obs: 3718 / % possible all: 91

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Processing

Software
NameVersionClassification
PHENIX(1.17.1_3660: ???)refinement
MOSFLMdata reduction
SCALAdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3VH8

3vh8


Resolution: 2.4→40 Å / SU ML: 0.33 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 30.84 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2491 2980 5.07 %
Rwork0.198 --
obs0.2006 58740 96.93 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.4→40 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10708 0 93 195 10996
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00411124
X-RAY DIFFRACTIONf_angle_d0.75915095
X-RAY DIFFRACTIONf_dihedral_angle_d15.2071515
X-RAY DIFFRACTIONf_chiral_restr0.0551561
X-RAY DIFFRACTIONf_plane_restr0.0041975
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.440.36841360.31432377X-RAY DIFFRACTION85
2.44-2.480.3741270.29272641X-RAY DIFFRACTION97
2.48-2.530.32491390.29382674X-RAY DIFFRACTION97
2.53-2.580.34811480.28372719X-RAY DIFFRACTION98
2.58-2.630.30511420.27912600X-RAY DIFFRACTION98
2.63-2.690.36451370.27982693X-RAY DIFFRACTION98
2.69-2.750.30071360.25652664X-RAY DIFFRACTION98
2.75-2.820.33631390.25012714X-RAY DIFFRACTION98
2.82-2.890.29391380.24892674X-RAY DIFFRACTION98
2.89-2.980.30911550.24532687X-RAY DIFFRACTION98
2.98-3.070.30011400.23812668X-RAY DIFFRACTION98
3.07-3.180.27271610.22862692X-RAY DIFFRACTION98
3.18-3.310.29351300.20892662X-RAY DIFFRACTION98
3.31-3.460.2371300.19772713X-RAY DIFFRACTION98
3.46-3.640.21341520.17942667X-RAY DIFFRACTION98
3.65-3.870.23361390.17552694X-RAY DIFFRACTION98
3.87-4.170.2181270.16282659X-RAY DIFFRACTION97
4.17-4.590.19681540.15112672X-RAY DIFFRACTION97
4.59-5.250.20181570.15042622X-RAY DIFFRACTION96
5.25-6.620.24481510.18152656X-RAY DIFFRACTION97
6.62-43.090.21251420.1722612X-RAY DIFFRACTION95
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)
13.1199-1.85881.14578.7992-3.02426.44010.02150.0356-0.0476-0.0369-0.3797-0.66620.83650.15730.36680.4927-0.05470.08010.301-0.01770.39155.0756-3.9164-10.3169
22.9476-1.15613.952.4923-3.33517.35210.68550.5033-0.676-1.0916-0.64530.40881.3713-0.05830.12440.7156-0.15070.12370.5333-0.0590.5259-1.2452-4.0502-20.7917
33.70781.32990.1157.2494-1.10613.09160.025-0.4169-0.26240.6522-0.14370.3320.6905-0.95220.01920.6155-0.2340.11510.7509-0.11160.387-12.1742-4.4127-10.2171
47.0843-1.75365.88741.8821-3.58437.9156-0.13770.0155-1.0295-0.07380.3950.18931.1144-0.8978-0.16230.9495-0.32370.1370.6723-0.0790.491-10.1552-13.6196-13.6783
53.42650.19180.51115.79791.22215.4485-0.3866-0.79150.13120.3846-0.08030.2461-0.5342-0.46380.28650.89390.1105-0.03740.63780.03530.50132.20260.515319.6545
66.0935-1.0284-0.39966.05130.98996.6092-0.5882-0.9279-0.00821.15430.17830.3940.1465-1.4410.18210.9280.1398-0.01590.7244-0.06420.4862-1.70321.665222.9957
78.3052-3.47154.7267.8723-4.38715.86630.4299-0.21960.1928-0.0945-0.37850.2390.5333-0.59680.02750.61540.03810.03110.3245-0.15450.2614-1.432311.98322.2878
86.67942.15552.03930.7460.82081.10960.2198-0.3464-0.59771.9988-0.6169-2.27070.40311.0667-0.08481.09190.0269-0.49720.55650.12660.930618.70265.272615.2996
92.60161.40682.3856.39992.2094.5167-0.1201-0.3462-0.18150.2976-0.0669-0.4859-0.0224-0.1560.2720.4553-0.0262-0.00890.3699-0.03570.35247.474911.12580.9157
106.09934.42132.69158.44014.54545.7153-0.3583-0.1473-0.48660.12810.1444-0.76950.0695-0.12820.29030.48990.0436-0.08020.33530.08220.33837.30918.2912-2.1909
117.16433.54584.78015.68513.21497.9292-0.3988-0.36510.460.68740.0578-0.5321-0.43570.50280.14250.5548-0.0357-0.12450.4053-0.0820.48114.168310.63636.2155
127.66747.5234.53457.62245.02953.9472-0.33820.08790.05440.27840.15920.4484-0.7456-0.17470.36650.50770.0591-0.05360.4491-0.03330.43544.492419.88530.0785
134.5059-0.1772-2.85739.53490.96983.44880.0571-1.5509-0.32252.45510.793-0.38130.30.7812-0.2521.20010.1544-0.31390.5198-0.19460.42599.187815.695413.2939
148.1817-3.18533.46844.94481.79714.1024-0.1329-0.7933-2.63280.69630.56621.081.3492-0.9078-0.14520.8027-0.26330.05310.77210.20160.6721-5.8579-8.5775-17.7383
153.9735-1.38541.074.9271-1.52634.9973-0.04870.18560.19050.0951-0.2904-0.8289-0.22020.60550.29630.22540.05220.00770.32980.00790.439343.411143.407236.792
163.1151-1.42863.40632.5212-2.96685.1980.14060.2097-0.1374-0.625-0.0927-0.10860.16570.4362-0.17690.29020.08370.03350.3841-0.02430.458837.008242.864626.1849
173.7001-1.20172.11193.2849-4.00178.38950.1276-0.0949-0.18280.05840.01950.47540.0579-0.3394-0.20950.14920.0630.05690.3319-0.04490.444929.059242.640237.0168
182.30151.35840.73362.97470.25414.0750.14730.1127-0.1640.038-0.14840.27320.2004-0.3648-0.00330.19360.00680.05740.3168-0.02810.384625.986135.650834.3791
194.0219-1.4955-2.48276.51476.82768.53070.0903-0.6670.34620.5534-0.23040.0692-0.04670.08180.03720.6569-0.0389-0.0270.47520.0010.388139.858447.907366.6639
204.8608-1.281-2.46945.03774.0667.7956-0.0693-0.64850.26081.2147-0.18820.60340.6317-0.47970.43660.7118-0.09360.0660.5518-0.06730.466935.972248.849469.8471
213.8924-1.40393.92689.5319-3.34954.36480.59930.30050.1669-0.4023-0.25881.91110.8377-0.4155-0.21910.44040.0746-0.01560.4924-0.09740.784928.902760.330942.6986
228.66881.68810.1485.94961.42095.02150.2274-0.3994-0.41121.5618-0.268-0.97220.26320.8242-0.29210.5983-0.0958-0.23840.40810.07220.513749.98155.575859.3836
235.88430.52375.53046.88690.99215.12260.2755-0.91170.27960.8012-0.3242-0.9531-0.1101-0.1460.2620.4545-0.1038-0.06590.4099-0.00890.443145.968355.638751.8878
247.36673.02217.44937.09256.7269.9804-1.01521.04760.7412-0.66670.36610.3928-1.010.75870.53420.5429-0.0084-0.01540.3056-0.00170.40943.096662.239643.9656
254.02013.9944.23973.51994.54194.8732-0.37780.23590.0602-0.18670.3927-0.3395-0.33840.4528-0.110.40650.0285-0.05280.40460.02610.473944.280855.834344.7015
266.36825.80036.88535.03725.71127.67710.36250.0866-0.28020.6617-0.0331-0.7903-0.03630.7021-0.47740.5671-0.092-0.10120.4742-0.02010.618951.331159.064353.3303
279.4138-0.29833.67757.93913.56685.3994-0.0118-0.40.32190.5702-0.01730.0936-0.50340.0046-0.02270.5449-0.0801-0.00710.2751-0.01840.424942.948865.702952.9049
288.7445-0.86286.32277.8408-2.64616.491-0.10950.5948-1.54540.23320.3960.99450.03160.3077-0.38180.29620.0710.14450.47320.15650.554732.678538.268229.4335
295.23212.92172.57474.03653.42518.24120.1745-0.60640.30150.1947-0.2617-0.0333-0.84840.25770.1750.444-0.04810.03730.42350.06120.40488.906321.7876-31.7912
306.45214.5726-1.63725.2986-1.42511.92090.1023-0.0635-0.48390.0248-0.3368-0.54740.08620.18470.28630.27630.0784-0.00130.3537-0.04040.3733-2.13871.0246-43.8219
317.48782.88672.11686.95440.612.02010.0149-0.15620.4379-0.6741-0.1620.6661-0.2332-0.08690.17310.3680.00370.00090.432-0.11140.501-27.172-7.7733-40.8936
323.77591.28960.17634.35263.01876.6724-0.0564-0.19770.3224-0.59350.3019-0.3899-1.60811.1056-0.17230.9064-0.25250.11430.70950.09670.603446.164168.774814.9155
336.3113.7138-1.09514.6947-1.79993.7963-0.08210.1085-0.0792-0.5483-0.2225-0.3556-0.35610.74120.33960.5510.02350.0460.4122-0.04530.387333.37647.06323.1417
347.7297-0.14383.25737.10252.59155.7251-0.14880.1657-0.0266-0.7698-0.08730.6032-0.4468-0.55310.19110.37280.0703-0.08340.3606-0.01820.43112.444638.12499.782
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 84 )
3X-RAY DIFFRACTION3chain 'A' and (resid 85 through 137 )
4X-RAY DIFFRACTION4chain 'A' and (resid 138 through 174 )
5X-RAY DIFFRACTION5chain 'A' and (resid 175 through 219 )
6X-RAY DIFFRACTION6chain 'A' and (resid 220 through 276 )
7X-RAY DIFFRACTION7chain 'B' and (resid 0 through 11 )
8X-RAY DIFFRACTION8chain 'B' and (resid 12 through 19 )
9X-RAY DIFFRACTION9chain 'B' and (resid 20 through 41 )
10X-RAY DIFFRACTION10chain 'B' and (resid 42 through 61 )
11X-RAY DIFFRACTION11chain 'B' and (resid 62 through 77 )
12X-RAY DIFFRACTION12chain 'B' and (resid 78 through 90 )
13X-RAY DIFFRACTION13chain 'B' and (resid 91 through 99 )
14X-RAY DIFFRACTION14chain 'C' and (resid 1 through 8 )
15X-RAY DIFFRACTION15chain 'D' and (resid 1 through 56 )
16X-RAY DIFFRACTION16chain 'D' and (resid 57 through 84 )
17X-RAY DIFFRACTION17chain 'D' and (resid 85 through 118 )
18X-RAY DIFFRACTION18chain 'D' and (resid 119 through 174 )
19X-RAY DIFFRACTION19chain 'D' and (resid 175 through 219 )
20X-RAY DIFFRACTION20chain 'D' and (resid 220 through 276 )
21X-RAY DIFFRACTION21chain 'E' and (resid 0 through 5 )
22X-RAY DIFFRACTION22chain 'E' and (resid 6 through 19 )
23X-RAY DIFFRACTION23chain 'E' and (resid 20 through 30 )
24X-RAY DIFFRACTION24chain 'E' and (resid 31 through 41 )
25X-RAY DIFFRACTION25chain 'E' and (resid 42 through 61 )
26X-RAY DIFFRACTION26chain 'E' and (resid 62 through 77 )
27X-RAY DIFFRACTION27chain 'E' and (resid 78 through 99 )
28X-RAY DIFFRACTION28chain 'F' and (resid 1 through 8 )
29X-RAY DIFFRACTION29chain 'G' and (resid 6 through 108 )
30X-RAY DIFFRACTION30chain 'G' and (resid 109 through 208 )
31X-RAY DIFFRACTION31chain 'G' and (resid 209 through 295 )
32X-RAY DIFFRACTION32chain 'H' and (resid 6 through 108 )
33X-RAY DIFFRACTION33chain 'H' and (resid 109 through 225 )
34X-RAY DIFFRACTION34chain 'H' and (resid 226 through 294 )

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