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- PDB-6gl1: HLA-E*01:03 in complex with the HIV epitope, RL9HIV -

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Basic information

Entry
Database: PDB / ID: 6gl1
TitleHLA-E*01:03 in complex with the HIV epitope, RL9HIV
Components
  • ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
  • Beta-2-microglobulinBeta-2 microglobulin
  • MHC class I antigen
KeywordsIMMUNE SYSTEM / Complex / Histocompatibility antigen
Function / homology
Function and homology information


positive regulation of antibody-dependent cellular cytotoxicity / regulation of natural killer cell mediated immunity / positive regulation of TRAIL production / negative regulation of natural killer cell activation / 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 / integrase activity / positive regulation of natural killer cell cytokine production / positive regulation of natural killer cell activation ...positive regulation of antibody-dependent cellular cytotoxicity / regulation of natural killer cell mediated immunity / positive regulation of TRAIL production / negative regulation of natural killer cell activation / 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 / integrase activity / positive regulation of natural killer cell cytokine production / positive regulation of natural killer cell activation / natural killer cell tolerance induction / natural killer cell lectin-like receptor binding / negative regulation of natural killer cell mediated cytotoxicity / Integration of viral DNA into host genomic DNA / Autointegration results in viral DNA circles / positive regulation of interleukin-13 production / positive regulation of natural killer cell mediated cytotoxicity / Minus-strand DNA synthesis / Plus-strand DNA synthesis / Uncoating of the HIV Virion / 2-LTR circle formation / Vpr-mediated nuclear import of PICs / Early Phase of HIV Life Cycle / Integration of provirus / positive regulation of natural killer cell proliferation / APOBEC3G mediated resistance to HIV-1 infection / positive regulation of immunoglobulin production / 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 / MHC class I protein binding / Binding and entry of HIV virion / beta-2-microglobulin binding / viral life cycle / negative regulation of T cell proliferation / protection from natural killer cell mediated cytotoxicity / 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 / T cell receptor binding / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / early endosome lumen / positive regulation of receptor binding / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / negative regulation of receptor binding / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / Assembly Of The HIV Virion / HIV-1 retropepsin / 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 / Budding and maturation of HIV virion / ER to Golgi transport vesicle membrane / retroviral ribonuclease H / exoribonuclease H / response to molecule of bacterial origin / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / : / exoribonuclease H activity / HFE-transferrin receptor complex / T cell mediated cytotoxicity / protein processing / 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 / host multivesicular body / 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 / positive regulation of receptor-mediated endocytosis / MHC class II protein complex / cellular response to nicotine / RNA-directed DNA polymerase / recycling endosome membrane / specific granule lumen / phagocytic vesicle membrane / viral genome integration into host DNA / peptide antigen binding / viral penetration into host nucleus / establishment of integrated proviral latency / positive regulation of cellular senescence / antigen processing and presentation of exogenous peptide antigen via MHC class II / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / RNA-directed DNA polymerase activity / Interferon gamma signaling / positive regulation of immune response / negative regulation of epithelial cell proliferation / Modulation by Mtb of host immune system / positive regulation of T cell activation / Interferon alpha/beta signaling / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases
Similarity search - Function
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 / Reverse transcriptase connection / Reverse transcriptase connection domain / MHC class I-like antigen recognition-like ...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 / Reverse transcriptase connection / Reverse transcriptase connection domain / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain / Integrase, C-terminal, retroviral / Integrase DNA binding domain profile. / Immunodeficiency lentiviral matrix, N-terminal / gag gene protein p17 (matrix protein) / RNase H / MHC classes I/II-like antigen recognition protein / Integrase core domain / Integrase, catalytic core / Integrase catalytic domain profile. / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain / Retropepsin-like catalytic domain / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Ribonuclease H domain / RNase H type-1 domain profile. / Reverse transcriptase (RNA-dependent DNA polymerase) / Reverse transcriptase domain / Reverse transcriptase (RT) catalytic domain profile. / Retropepsins / Retroviral aspartyl protease / Aspartyl protease, retroviral-type family profile. / Peptidase A2A, retrovirus, catalytic / Retrovirus capsid, C-terminal / Retroviral matrix protein / Retrovirus capsid, N-terminal / zinc finger / Zinc knuckle / Zinc finger, CCHC-type superfamily / Zinc finger, CCHC-type / Zinc finger CCHC-type profile. / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ribonuclease H superfamily / Aspartic peptidase, active site / Eukaryotic and viral aspartyl proteases active site. / Aspartic peptidase domain superfamily / Ribonuclease H-like superfamily / Reverse transcriptase/Diguanylate cyclase domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulins / DNA/RNA polymerase superfamily / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
HLA class I histocompatibility antigen, alpha chain E / Gag-Pol polyprotein / HLA class I histocompatibility antigen, alpha chain E / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
Human immunodeficiency virus 1
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.623 Å
AuthorsWalters, L.C. / Gillespie, G.M. / McMichael, A.J. / Rozbesky, D. / Jones, E.Y. / Harlos, K.
Funding support United States, 1items
OrganizationGrant numberCountry
Bill & Melinda Gates FoundationOPP1133649 United States
CitationJournal: Nat Commun / Year: 2018
Title: Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Authors: Walters, L.C. / Harlos, K. / Brackenridge, S. / Rozbesky, D. / Barrett, J.R. / Jain, V. / Walter, T.S. / O'Callaghan, C.A. / Borrow, P. / Toebes, M. / Hansen, S.G. / Sacha, J. / Abdulhaqq, S. ...Authors: Walters, L.C. / Harlos, K. / Brackenridge, S. / Rozbesky, D. / Barrett, J.R. / Jain, V. / Walter, T.S. / O'Callaghan, C.A. / Borrow, P. / Toebes, M. / Hansen, S.G. / Sacha, J. / Abdulhaqq, S. / Greene, J.M. / Fruh, K. / Marshall, E. / Picker, L.J. / Jones, E.Y. / McMichael, A.J. / Gillespie, G.M.
History
DepositionMay 22, 2018Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 8, 2018Provider: repository / Type: Initial release
Revision 1.1Aug 22, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2Jan 17, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_symmetry

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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: MHC class I antigen
D: Beta-2-microglobulin
E: MHC class I antigen
F: Beta-2-microglobulin
G: MHC class I antigen
H: Beta-2-microglobulin
P: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
R: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
T: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
Q: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)178,82319
Polymers178,18112
Non-polymers6427
Water5,513306
1
A: MHC class I antigen
B: Beta-2-microglobulin
P: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,7375
Polymers44,5453
Non-polymers1922
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4750 Å2
ΔGint-41 kcal/mol
Surface area19050 Å2
MethodPISA
2
C: MHC class I antigen
D: Beta-2-microglobulin
Q: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,6414
Polymers44,5453
Non-polymers961
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4680 Å2
ΔGint-33 kcal/mol
Surface area18790 Å2
MethodPISA
3
E: MHC class I antigen
F: Beta-2-microglobulin
R: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,7375
Polymers44,5453
Non-polymers1922
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4790 Å2
ΔGint-42 kcal/mol
Surface area18940 Å2
MethodPISA
4
G: MHC class I antigen
H: Beta-2-microglobulin
T: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,7075
Polymers44,5453
Non-polymers1612
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4600 Å2
ΔGint-37 kcal/mol
Surface area18390 Å2
MethodPISA
Unit cell
Length a, b, c (Å)244.820, 48.220, 153.020
Angle α, β, γ (deg.)90.00, 117.38, 90.00
Int Tables number5
Space group name H-MC121
Components on special symmetry positions
IDModelComponents
11G-301-

ZN

21H-201-

SO4

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Components

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Protein , 2 types, 8 molecules ACEGBDFH

#1: Protein
MHC class I antigen


Mass: 31597.713 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-E / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): plysS / References: UniProt: E2G051, UniProt: P13747*PLUS
#2: Protein
Beta-2-microglobulin / Beta-2 microglobulin


Mass: 11879.356 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): plysS / References: UniProt: P61769

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Protein/peptide , 1 types, 4 molecules PRTQ

#3: Protein/peptide
ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU


Mass: 1068.268 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Human immunodeficiency virus 1 / References: UniProt: P04585*PLUS

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Non-polymers , 3 types, 313 molecules

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


Mass: 96.063 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: SO4
#5: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Zn
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 306 / 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: 2.25 Å3/Da / Density % sol: 45.35 %
Crystal growTemperature: 293.5 K / Method: vapor diffusion, sitting drop / pH: 6
Details: 2.4 M Ammonium Sulphate, 0.1 M MES, pH 6, 0.05% dichloromethane

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I24 / Wavelength: 0.9795 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Apr 22, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 2.62→135.878 Å / Num. obs: 48641 / % possible obs: 100 % / Redundancy: 6.6 % / Net I/σ(I): 5.2
Reflection shellResolution: 2.62→2.66 Å / Rmerge(I) obs: 2.345 / Num. unique obs: 2439 / CC1/2: 0.447

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
xia2data reduction
xia2data scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6GH1

6gh1


Resolution: 2.623→135.878 Å / SU ML: 0.34 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 27.2
RfactorNum. reflection% reflection
Rfree0.2728 2112 5.11 %
Rwork0.2234 --
obs0.2259 41354 85.34 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2.623→135.878 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12363 0 31 306 12700
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00312744
X-RAY DIFFRACTIONf_angle_d0.61617312
X-RAY DIFFRACTIONf_dihedral_angle_d13.4187532
X-RAY DIFFRACTIONf_chiral_restr0.0431773
X-RAY DIFFRACTIONf_plane_restr0.0042263
LS refinement shellResolution: 2.623→2.717 Å /
RfactorNum. reflection
Rfree0.3156 -
Rwork0.303 -
obs-587
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)
13.1249-1.1159-1.0781.30860.86153.06810.02570.63860.0373-0.2524-0.12330.0374-0.1427-0.35570.07110.15910.0139-0.04330.2926-0.030.210419.64980.448746.6877
22.60571.469-1.30861.3725-1.81223.7517-0.1929-0.2293-0.39570.02520.0814-0.32210.31940.04730.06410.14710.028-0.02860.2454-0.03140.222619.2615-1.440562.7456
33.6516-1.6512-0.56450.8586-0.11841.4949-0.05640.2291-0.3295-0.0744-0.04660.06160.241-0.12620.0860.26590.0211-0.00010.1052-0.02620.285328.5672-8.715655.4093
44.42150.91331.08363.75690.67044.04060.3177-0.1486-0.01570.1078-0.0109-0.51490.22760.191-0.29590.1530.0522-0.02350.20080.01710.213854.3746-5.519959.2191
53.7632-0.9576-1.84864.77891.69886.1799-0.29390.47130.3335-0.4055-0.30690.0254-0.46490.4250.44550.3547-0.0981-0.19870.28360.06940.308244.16696.938850.1834
62.10091.6862-1.14482.2665-0.55752.9973-0.00611.3740.9028-0.5609-0.3154-0.2121-0.7078-0.01720.07690.43550.01220.00170.59850.32090.450339.850912.049344.9147
72.50980.3875-0.99171.9262-0.24743.8078-0.34350.3423-0.1085-0.6908-0.2613-0.11780.05011.22690.46310.41770.0907-0.18210.350.43110.199539.84456.741147.4143
82.5484-0.3496-1.38840.3075-0.0441.59630.16340.03421.0625-0.08750.2132-0.1828-0.33830.9487-0.0980.2843-0.2751-0.0253-0.00350.36291.081945.374615.14151.2463
93.4375-1.14170.0053.5097-1.6172.99540.1362-1.0858-0.05920.8297-0.0137-0.4314-0.3293-0.2378-0.07180.21280.0343-0.05210.6305-0.05320.277862.7647-20.263522.3324
103.61180.2811-1.23662.0211-1.08453.42290.028-0.5004-0.1353-0.0906-0.1031-0.13610.19990.26620.04720.1350.0425-0.06320.2745-0.01770.289370.6512-22.186310.2672
114.54190.1877-0.35732.3427-0.31622.69740.01680.2664-0.1441-0.29090.17110.60830.0843-0.0548-0.15840.2485-0.0471-0.06650.1314-0.0520.339432.6847-24.36110.3438
121.7720.0377-3.33935.6708-2.27627.6164-0.0322-0.17660.0193-0.455-0.3481-0.6874-0.56550.26770.16830.20250.033-0.08810.1847-0.08730.504348.9668-8.139211.2634
132.3771-1.158-0.67150.47530.29450.7508-0.1138-1.30090.84230.49420.0724-0.17880.04320.4312-0.05140.22960.11440.15660.3669-0.27810.543743.6887-10.686322.3935
142.6774-3.0305-0.49183.85530.90210.51250.3969-0.23080.17390.73760.0662-0.3702-0.99040.9187-0.44260.68330.1867-0.01020.8857-0.3740.465245.5862-4.375229.7204
154.6667-0.0652-0.32590.6495-0.5351.17220.329-1.8418-0.0068-0.27430.53060.2847-0.2155-0.8638-0.1480.2399-0.3271-0.1632-0.0194-0.43390.136547.0481-12.143720.5514
161.52690.7151-1.6490.5854-0.68011.48510.2178-0.48640.4390.70950.04550.4026-0.6559-0.1255-0.07260.3818-0.3402-0.0696-0.9407-0.57411.108446.9120.031716.4627
171.2409-0.4364-0.53161.6744-0.57071.68630.27150.14630.1284-0.24640.46240.08410.0867-0.4743-0.21380.1790.19620.06050.462-0.25570.698635.0269-7.462218.0625
183.8421-0.2302-0.29981.80530.21844.06280.0001-0.02180.0029-0.0952-0.04740.1583-0.3875-0.29210.04340.1325-0.0456-0.09750.19640.01970.2197-27.089510.140611.0751
192.7697-0.1203-1.40622.94162.30366.6919-0.16-0.8371-0.7112-0.0354-0.15010.26150.26980.01330.24810.3358-0.0202-0.10610.51210.15820.326-26.07150.728320.2602
203.0805-0.3098-1.53111.69560.65435.2052-0.1931-0.4016-0.89470.21170.00340.24870.8978-0.28260.15170.3182-0.0194-0.04220.36930.11750.3876-30.3994-5.130117.3981
215.2091.21152.4561.6948-0.40311.5820.05040.4075-0.69240.03490.2449-0.42490.26051.0032-0.2650.29410.16890.02240.8059-0.05350.33787.68792.255417.636
226.29464.843-3.60445.7047-4.10115.91950.4004-0.497-0.64780.5394-0.7531-0.4304-0.3164-0.2270.20110.28590.007-0.08720.4028-0.02310.1929-10.345413.280426.6867
231.69610.2991-1.58334.5376-0.85885.2356-0.40170.55610.8197-0.6464-0.1277-1.0522-0.22181.38680.33860.557-0.11070.03161.09150.30160.48186.375519.41118.6422
243.2264-0.0111-0.39323.4112-0.59534.7019-0.27220.17020.5329-0.6974-0.0896-0.2001-0.41380.20540.24170.3875-0.0539-0.10260.38410.12750.2594-5.796316.848316.8656
256.35021.1829-3.88582.9219-1.33494.65250.3039-0.60681.3540.2382-0.21220.1532-1.3931-0.0689-0.0060.42590.0067-0.23760.4981-0.15960.3214-12.769722.175322.8844
267.04375.89850.70247.5156-0.95234.9235-0.32690.36071.2009-0.02430.57811.171-1.0173-0.0889-0.30510.63420.0555-0.06360.30730.10980.5198-7.545528.823315.5303
276.32121.5952-0.52451.85370.30772.5594-0.3518-0.13530.294-0.4038-0.1855-0.25320.05740.33430.46510.23140.1157-0.0660.25170.06710.1913-12.648113.478817.3084
284.9913-0.6292-0.13763.1837-0.94584.89470.1813-0.19281.6629-0.16150.0701-0.7873-0.84371.7024-0.20240.5845-0.2032-0.04570.7468-0.0430.6928.270129.442216.3983
297.83950.636-4.99741.8369-2.39026.9248-0.1161-0.24340.7545-0.14390.47510.0198-0.55820.2775-0.21920.4321-0.0118-0.06970.3672-0.08760.3801-7.280323.846824.39
301.3222-0.3513-2.3142.8794-0.71985.1921-0.8997-0.93881.21760.2396-0.18-1.0722-0.40060.56040.37430.3699-0.054-0.25540.6356-0.2150.0952-2.099620.612226.4467
312.8214-1.64740.31161.5417-0.68023.9937-0.09070.46590.47550.3744-0.03210.62-0.22980.20990.03090.18140.0404-0.03630.20940.0230.2698-12.5195.401855.9259
324.79572.2972-1.06613.9278-1.15633.7771-0.0053-1.01620.12890.8001-0.19040.6453-0.47720.73350.29890.50330.06440.09240.08130.14270.1949-12.52056.953267.5874
332.8658-0.4461-0.90061.1015-0.27672.1714-0.17750.5551-0.6277-0.01030.0626-0.0440.41520.09830.17780.2350.0057-0.02020.345-0.0880.2614-5.6921-3.255150.9213
344.5546-0.4391-0.67563.073-0.4062.4976-0.64540.986-0.52420.44120.09680.26780.8088-0.78410.3962-0.1284-0.37250.30710.6592-0.15330.4413-40.5359-0.83357.591
352.06060.14250.88051.1568-0.06511.5366-0.47171.0808-1.1481-0.74370.09390.18840.8939-0.87620.24860.4403-0.38660.1440.8447-0.37360.5203-39.4066-2.313752.2381
364.1191-1.171-1.69222.65980.56095.240.25670.794-0.1796-0.1184-0.5521-0.3133-0.1480.00780.15090.16860.0264-0.06620.49570.03110.2506-25.699211.244343.9817
371.28761.1490.97962.3825-0.46792.28320.13110.57180.23610.2529-0.10520.5908-0.1772-0.94330.06990.0572-0.0604-0.00850.30040.0040.1776-35.539713.115457.8417
383.761-2.1662-2.34415.5243-0.15764.57520.67510.17820.84171.0580.3897-0.4301-1.78040.6985-0.50240.4461-0.0776-0.02710.330.06170.1456-25.717321.774153.5665
393.1988-1.749-1.96863.52191.6926.9235-0.02140.5873-0.91170.19010.32620.08580.3398-0.0074-0.1680.1937-0.0853-0.15410.2069-0.12850.1581-17.96344.366949.1602
404.38240.4667-4.481.67851.61996.90480.57260.54770.8283-0.1281-0.10720.063-1.3354-0.462-0.3810.28130.021-0.01680.22170.01640.2947-32.902118.776554.9146
411.012-0.9669-0.23431.36531.25192.4742-0.27090.75840.5232-0.8189-0.2910.3245-0.1144-1.40910.2030.43130.1265-0.04940.75540.20630.1808-32.979418.229945.2916
428.0135-5.3094-5.92873.47124.20547.8534-0.8780.9629-1.33880.32780.14731.467-0.32490.30070.69120.28940.06340.01310.43150.09760.469911.3576-3.757553.5872
433.64510.0535-3.12141.2517-1.57494.5474-0.04710.4098-0.47790.42950.11770.03540.0377-0.7765-0.15280.48630.002-0.15580.3416-0.00480.4838-34.59691.717613.2779
449.92941.2952-5.90224.5742-0.64358.02570.3249-0.58270.0104-0.150.1547-1.2032-0.07391.4137-0.27310.24190.01750.08030.3928-0.0370.3875-1.1369-2.374855.028
450.0202-0.0819-0.13870.24840.32160.41730.2637-1.1299-1.2053-0.0918-0.2575-1.2215-0.14170.68880.16440.068-0.0301-0.09690.69530.30340.660275.0625-23.263614.4837
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 84 )
2X-RAY DIFFRACTION2chain 'A' and (resid 85 through 137 )
3X-RAY DIFFRACTION3chain 'A' and (resid 138 through 197 )
4X-RAY DIFFRACTION4chain 'A' and (resid 198 through 274 )
5X-RAY DIFFRACTION5chain 'B' and (resid 1 through 20 )
6X-RAY DIFFRACTION6chain 'B' and (resid 21 through 52 )
7X-RAY DIFFRACTION7chain 'B' and (resid 53 through 78 )
8X-RAY DIFFRACTION8chain 'B' and (resid 79 through 100 )
9X-RAY DIFFRACTION9chain 'C' and (resid 1 through 56 )
10X-RAY DIFFRACTION10chain 'C' and (resid 57 through 174 )
11X-RAY DIFFRACTION11chain 'C' and (resid 175 through 274 )
12X-RAY DIFFRACTION12chain 'D' and (resid 1 through 12 )
13X-RAY DIFFRACTION13chain 'D' and (resid 13 through 42 )
14X-RAY DIFFRACTION14chain 'D' and (resid 43 through 52 )
15X-RAY DIFFRACTION15chain 'D' and (resid 53 through 78 )
16X-RAY DIFFRACTION16chain 'D' and (resid 79 through 91 )
17X-RAY DIFFRACTION17chain 'D' and (resid 92 through 100 )
18X-RAY DIFFRACTION18chain 'E' and (resid 1 through 84 )
19X-RAY DIFFRACTION19chain 'E' and (resid 85 through 118 )
20X-RAY DIFFRACTION20chain 'E' and (resid 119 through 174 )
21X-RAY DIFFRACTION21chain 'E' and (resid 175 through 274 )
22X-RAY DIFFRACTION22chain 'F' and (resid 1 through 12 )
23X-RAY DIFFRACTION23chain 'F' and (resid 13 through 20 )
24X-RAY DIFFRACTION24chain 'F' and (resid 21 through 31 )
25X-RAY DIFFRACTION25chain 'F' and (resid 32 through 42 )
26X-RAY DIFFRACTION26chain 'F' and (resid 43 through 52 )
27X-RAY DIFFRACTION27chain 'F' and (resid 53 through 72 )
28X-RAY DIFFRACTION28chain 'F' and (resid 73 through 78 )
29X-RAY DIFFRACTION29chain 'F' and (resid 79 through 85 )
30X-RAY DIFFRACTION30chain 'F' and (resid 86 through 100 )
31X-RAY DIFFRACTION31chain 'G' and (resid 1 through 37 )
32X-RAY DIFFRACTION32chain 'G' and (resid 38 through 56 )
33X-RAY DIFFRACTION33chain 'G' and (resid 57 through 174 )
34X-RAY DIFFRACTION34chain 'G' and (resid 175 through 201 )
35X-RAY DIFFRACTION35chain 'G' and (resid 202 through 274 )
36X-RAY DIFFRACTION36chain 'H' and (resid 1 through 12 )
37X-RAY DIFFRACTION37chain 'H' and (resid 13 through 31 )
38X-RAY DIFFRACTION38chain 'H' and (resid 32 through 52 )
39X-RAY DIFFRACTION39chain 'H' and (resid 53 through 62 )
40X-RAY DIFFRACTION40chain 'H' and (resid 63 through 84 )
41X-RAY DIFFRACTION41chain 'H' and (resid 85 through 100 )
42X-RAY DIFFRACTION42chain 'P' and (resid 1 through 9 )
43X-RAY DIFFRACTION43chain 'R' and (resid 1 through 9 )
44X-RAY DIFFRACTION44chain 'T' and (resid 1 through 9 )
45X-RAY DIFFRACTION45chain 'Q' and (resid 1 through 9 )

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