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- PDB-6gh1: HLA-E*01:03 in complex with Mtb44 -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6gh1
TitleHLA-E*01:03 in complex with Mtb44
Components
  • Beta-2-microglobulinBeta-2 microglobulin
  • Enoyl-[acyl-carrier-protein] reductase [NADH]
  • MHC class I antigen
KeywordsIMMUNE SYSTEM / Complex / Histocompatibility antigen
Function / homology
Function and homology information


ER-Phagosome pathway / Endosomal/Vacuolar pathway / Nef mediated downregulation of MHC class I complex cell surface expression / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / DAP12 interactions / DAP12 signaling / Neutrophil degranulation / Interferon gamma signaling / Interferon alpha/beta signaling / Amyloid fiber formation ...ER-Phagosome pathway / Endosomal/Vacuolar pathway / Nef mediated downregulation of MHC class I complex cell surface expression / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / DAP12 interactions / DAP12 signaling / Neutrophil degranulation / Interferon gamma signaling / Interferon alpha/beta signaling / Amyloid fiber formation / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / positive regulation of CD8-positive, alpha-beta T cell activation / positive regulation of TRAIL production / positive regulation of antibody-dependent cellular cytotoxicity / regulation of natural killer cell mediated immunity / positive regulation of natural killer cell mediated immunity / MHC class Ib protein complex / antigen processing and presentation of exogenous peptide antigen via MHC class Ib / positive regulation of CD8-positive, alpha-beta T cell proliferation / natural killer cell lectin-like receptor binding / positive regulation of natural killer cell cytokine production / natural killer cell tolerance induction / positive regulation of natural killer cell proliferation / positive regulation of interleukin-13 production / negative regulation of natural killer cell mediated cytotoxicity / mycolic acid biosynthetic process / positive regulation of natural killer cell mediated cytotoxicity / positive regulation of immunoglobulin secretion / positive regulation of interleukin-4 production / fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / enoyl-[acyl-carrier-protein] reductase activity / protection from natural killer cell mediated cytotoxicity / MHC class I protein binding / antigen processing and presentation of endogenous peptide antigen via MHC class Ib / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent / enoyl-[acyl-carrier-protein] reductase (NADH) activity / CD8-positive, alpha-beta T cell activation / T cell receptor binding / NAD+ binding / positive regulation of T cell mediated cytotoxicity / beta-2-microglobulin binding / positive regulation of tumor necrosis factor production / fatty acid binding / antigen processing and presentation of exogenous peptide antigen via MHC class I, TAP-independent / early endosome lumen / integral component of lumenal side of endoplasmic reticulum membrane / antigen processing and presentation of peptide antigen via MHC class I / type I interferon signaling pathway / peptide antigen binding / ER to Golgi transport vesicle membrane / regulation of defense response to virus by virus / antigen processing and presentation of exogenous peptide antigen via MHC class I, TAP-dependent / positive regulation of transferrin receptor binding / positive regulation of ferrous iron binding / negative regulation of forebrain neuron differentiation / regulation of membrane depolarization / negative regulation of receptor binding / MHC class I peptide loading complex / recycling endosome membrane / regulation of iron ion transport / MHC class I protein complex / HFE-transferrin receptor complex / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / cellular response to iron ion / negative regulation of neurogenesis / positive regulation of receptor binding / cellular response to nicotine / phagocytic vesicle membrane / positive regulation of receptor-mediated endocytosis / positive regulation of cellular senescence / specific granule lumen / cell wall / modulation of age-related behavioral decline / retina homeostasis / negative regulation of epithelial cell proliferation / interferon-gamma-mediated signaling pathway / early endosome membrane / iron ion homeostasis / amyloid fibril formation / regulation of immune response / tertiary granule lumen / adaptive immune response / antibacterial humoral response / positive regulation of protein binding / learning or memory / antimicrobial humoral immune response mediated by antimicrobial peptide / protein homotetramerization / external side of plasma membrane / immune response / defense response to Gram-negative bacterium / cellular response to lipopolysaccharide / defense response to Gram-positive bacterium / Golgi membrane / endoplasmic reticulum lumen / response to antibiotic / signaling receptor binding / focal adhesion / cellular protein metabolic process
MHC class I-like antigen recognition-like superfamily / MHC class I, alpha chain, C-terminal / Enoyl-[acyl-carrier-protein] reductase (NADH) / Beta-2-Microglobulin / Immunoglobulin-like domain superfamily / NAD(P)-binding domain superfamily / MHC class I-like antigen recognition-like / Class I Histocompatibility antigen, domains alpha 1 and 2 / MHC_I C-terminus / Immunoglobulin C1-set domain ...MHC class I-like antigen recognition-like superfamily / MHC class I, alpha chain, C-terminal / Enoyl-[acyl-carrier-protein] reductase (NADH) / Beta-2-Microglobulin / Immunoglobulin-like domain superfamily / NAD(P)-binding domain superfamily / MHC class I-like antigen recognition-like / Class I Histocompatibility antigen, domains alpha 1 and 2 / MHC_I C-terminus / Immunoglobulin C1-set domain / Immunoglobulins and major histocompatibility complex proteins signature. / Ig-like domain profile. / MHC classes I/II-like antigen recognition protein / Immunoglobulin-like domain / Immunoglobulin C1-set / Immunoglobulin/major histocompatibility complex, conserved site / MHC class I alpha chain, alpha1 alpha2 domains / Immunoglobulin-like fold
HLA class I histocompatibility antigen, alpha chain E / HLA class I histocompatibility antigen, alpha chain E / Beta-2-microglobulin / Enoyl-[acyl-carrier-protein] reductase [NADH]
Biological speciesHomo sapiens (human)
Mycobacterium tuberculosis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 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. / Greene, J.M. / Fruh, K. / Marshall, E. / Picker, L.J. / Jones, E.Y. / McMichael, A.J. / Gillespie, G.M.
Validation Report
SummaryFull reportAbout validation report
History
DepositionMay 4, 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

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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
P: Enoyl-[acyl-carrier-protein] reductase [NADH]
C: MHC class I antigen
D: Beta-2-microglobulin
Q: Enoyl-[acyl-carrier-protein] reductase [NADH]
E: MHC class I antigen
F: Beta-2-microglobulin
R: Enoyl-[acyl-carrier-protein] reductase [NADH]
G: MHC class I antigen
H: Beta-2-microglobulin
Z: Enoyl-[acyl-carrier-protein] reductase [NADH]
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,04725
Polymers177,82912
Non-polymers1,21813
Water14,016778
1
C: MHC class I antigen
D: Beta-2-microglobulin
Q: Enoyl-[acyl-carrier-protein] reductase [NADH]
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,8427
Polymers44,4573
Non-polymers3844
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
G: MHC class I antigen
H: Beta-2-microglobulin
Z: Enoyl-[acyl-carrier-protein] reductase [NADH]
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,7156
Polymers44,4573
Non-polymers2583
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
A: MHC class I antigen
B: Beta-2-microglobulin
P: Enoyl-[acyl-carrier-protein] reductase [NADH]
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,7466
Polymers44,4573
Non-polymers2883
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4770 Å2
ΔGint-45 kcal/mol
Surface area19150 Å2
MethodPISA
4
E: MHC class I antigen
F: Beta-2-microglobulin
R: Enoyl-[acyl-carrier-protein] reductase [NADH]
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,7466
Polymers44,4573
Non-polymers2883
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4930 Å2
ΔGint-55 kcal/mol
Surface area19030 Å2
MethodPISA
Unit cell
γ
α
β
Length a, b, c (Å)48.380, 76.600, 111.150
Angle α, β, γ (deg.)99.33, 99.56, 93.66
Int Tables number1
Space group name H-MP1
Symmetry operation#1: x,y,z

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Components

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Protein/peptide , 3 types, 12 molecules ACEGBDFHPQRZ

#1: Protein/peptide
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/peptide
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
#3: Protein/peptide
Enoyl-[acyl-carrier-protein] reductase [NADH] / Enoyl-ACP reductase / FAS-II enoyl-ACP reductase / NADH-dependent 2-trans-enoyl-ACP reductase


Mass: 980.247 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Mycobacterium tuberculosis (bacteria)
References: UniProt: P9WGR1, enoyl-[acyl-carrier-protein] reductase (NADH)

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Non-polymers , 3 types, 791 molecules

#4: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: SO4 / Sulfate
#5: Chemical ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 778 / Source method: isolated from a natural source / Formula: H2O / Water

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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: 2.24 Å3/Da / Density % sol: 45.19 %
Crystal growTemperature: 293.5 K / Method: vapor diffusion, sitting drop / pH: 6 / Details: 2.4 M Ammonium Sulphate, 0.1 M MES, pH 6

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9686 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jul 15, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9686 Å / Relative weight: 1
ReflectionResolution: 2.09→53.91 Å / Num. obs: 81176 / % possible obs: 89.1 % / Redundancy: 1.7 % / CC1/2: 0.985 / Rmerge(I) obs: 0.085 / Net I/σ(I): 2.8
Reflection shellResolution: 2.09→2.13 Å / Redundancy: 1.5 % / Rmerge(I) obs: 0.472 / Mean I/σ(I) obs: 1.1 / CC1/2: 0.668 / % possible all: 47

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
MOLREPphasing
Cootmodel building
xia2data reduction
xia2data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1MHE
Resolution: 2.1→48.021 Å / SU ML: 0.27 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 25.57 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2288 4090 5.05 %
Rwork0.191 --
Obs0.1929 80979 89.76 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.1→48.021 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12548 0 61 779 13388
Refine LS restraints

Refinement-ID: X-RAY DIFFRACTION

TypeDev idealNumber
f_bond_d0.00212967
f_angle_d0.54117630
f_dihedral_angle_d14.8357653
f_chiral_restr0.0411800
f_plane_restr0.0032308
LS refinement shell

Refinement-ID: X-RAY DIFFRACTION

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.1-2.12470.3865640.2963143348
2.1247-2.15060.3364920.2703155753
2.1506-2.17790.2893920.2666171358
2.1779-2.20650.2548920.2748186063
2.2065-2.23670.30931250.2682205370
2.2367-2.26870.32321320.2707238681
2.2687-2.30260.32031430.2582278193
2.3026-2.33850.31411470.2452274294
2.3385-2.37690.31131380.2299283895
2.3769-2.41790.3141480.2367285296
2.4179-2.46180.25841440.2188282096
2.4618-2.50920.27681500.2285285597
2.5092-2.56040.27781490.2214289797
2.5604-2.6160.25571720.2294280297
2.616-2.67690.30111590.2245294098
2.6769-2.74380.27461750.2179284397
2.7438-2.8180.25591660.2119285197
2.818-2.90090.27371570.201289998
2.9009-2.99450.2631460.1998290398
2.9945-3.10160.23721410.1891287098
3.1016-3.22570.25391520.1838296398
3.2257-3.37250.21581490.1691285898
3.3725-3.55020.18461620.1704288498
3.5502-3.77260.21671430.1547288797
3.7726-4.06370.17491550.1474289398
4.0637-4.47240.1661700.1465285298
4.4724-5.11890.17041470.1477289198
5.1189-6.44690.20331520.1952288798
6.4469-48.03330.2021280.1992287996
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.61020.88150.66063.7933-0.25692.63020.0161-0.01660.199-0.18350.05840.0475-0.2788-0.0638-0.05830.2484-0.02020.06810.1858-0.03620.13920.74571.7157-12.5332
21.44310.436-0.19813.3765-0.24851.5776-0.0314-0.0017-0.0632-0.17060.060.01560.06280.0293-0.02450.25130.00060.03530.2405-0.05950.18930.4694-11.987-13.04
34.07513.64971.50337.68533.81342.0094-0.34450.4096-0.372-0.67920.6019-0.8694-0.19830.338-0.25860.1907-0.01440.00680.33110.02250.199110.0256-13.0826-15.1249
43.09390.25-2.21531.42420.227.5432-0.0196-0.45830.00820.0982-0.00080.04120.14010.22340.01750.2034-0.02460.00210.2231-0.04460.25875.66966.006519.4117
57.0519-2.7519-4.962.86942.86696.1354-0.55610.8135-0.8494-0.6146-0.00450.96651.0965-1.0030.61210.3803-0.06950.04620.2428-0.02450.2703-13.0882-9.80581.6661
66.88275.34784.27824.4054.29836.6091-0.3165-0.05080.14380.00660.46550.5153-0.2957-0.2634-0.15790.17720.0603-0.02440.28430.00260.225-7.06626.44459.0374
76.8772-6.6617-1.97929.19682.4270.66520.0783-0.63711.2907-0.68940.5843-1.7851-1.45310.9981-0.65690.5179-0.10230.01030.3358-0.03230.4794-1.863121.48510.6596
82.5709-0.4394-1.30085.63181.89953.6903-0.10510.1380.2267-0.2871-0.01840.26-0.3178-0.32480.17830.18660.0084-0.02660.1968-0.01790.1749-10.79336.82151.9876
92.7135-0.6952-0.97183.62741.19933.390.18511.07181.1057-0.4569-0.47570.2353-0.9079-1.103-0.01370.46250.1524-0.11650.39290.03440.4528-15.38115.8334-0.9123
101.4037-0.937-0.29573.33424.33566.32090.04170.20440.253-0.3208-0.074-0.3755-0.404-0.1182-0.02540.14940.01910.03490.20690.01510.2342-4.90023.3339-0.9629
112.5597-2.7675-2.38748.56185.4056.5816-0.247-0.34340.31060.5131-0.14830.9002-0.8655-1.31970.57530.60550.1817-0.01870.547-0.12810.5988-13.965322.891414.2358
120.28191.05061.05086.31184.21135.1783-0.1572-0.22970.31770.2885-0.02680.44190.2094-0.64520.13160.19090.03870.00690.4689-0.07840.4063-18.86113.20014.8237
137.20520.2497-2.33285.0157-2.06722.8315-0.2804-0.94590.0530.94440.18430.1759-0.35980.0830.09390.37330.18390.04190.5545-0.10540.3251-11.244411.015414.0581
145.55254.6331-2.33345.1905-1.48096.1188-1.44981.0433-0.4626-1.85481.2062-0.11120.5009-0.09180.17660.45340.00050.06820.3232-0.02830.30744.2468-10.4357-19.4075
151.73230.9209-0.23385.5522-0.49082.624-0.05750.12090.05240.02330.11410.3080.1618-0.23-0.03860.18820.00620.0430.2389-0.02030.1831-29.0057-10.504834.6782
161.57170.727-0.51885.76140.37762.2341-0.04360.0666-0.23810.17840.0934-0.58550.46920.254-0.05250.33010.068-0.00580.3482-0.05780.2303-16.2056-18.176936.9574
171.90410.5697-0.36552.7945-2.40188.38420.1955-0.2975-0.02640.5947-0.2239-0.068-0.05230.39440.00610.34-0.01730.00820.1857-0.0490.2731-20.7136-0.181468.7086
185.485-4.7773-3.33048.63966.39416.3952-0.2007-0.0792-0.14680.17950.04690.11460.9799-0.33230.17130.47170.04950.0520.19610.06040.3071-32.339-16.24456.8711
199.0092-5.5207-7.20067.01376.01096.47920.0556-0.64662.19020.30310.06480.22960.4454-0.6420.04890.4906-0.04140.04030.4525-0.1420.6425-37.81467.667163.3286
204.5905-3.9139-1.25384.45850.73386.1112-0.4102-0.13690.72570.36660.5985-0.54320.1925-0.0919-0.17050.203-0.00870.03640.1750.02040.3253-35.5811-5.310956.3027
216.199-7.1563-6.0729.6168.07447.89520.16520.3291-0.2152-0.482-0.48780.83830.3853-1.00820.23770.3965-0.10660.09640.39680.05730.2831-41.209-13.869352.9897
227.6126-0.7069-5.17264.56750.65893.6737-0.03721.50980.8911-0.43540.34530.71720.4116-1.3909-0.19460.3613-0.0321-0.0830.6120.02160.4156-47.5846-4.542553.6881
238.0221-6.5157-5.65437.87215.0635.76940.1640.28790.60660.1354-0.0585-0.11620.0343-0.1195-0.14330.2065-0.09180.0240.21330.01830.2657-32.3149-9.09250.4072
247.3983-3.4194-7.50742.13783.5917.63660.59470.02420.7120.62910.7360.8197-0.7055-0.7489-1.21450.51940.16560.17780.7999-0.02130.7216-47.83361.783968.7177
255.3311-6.0662-6.98526.89667.95459.17350.08770.19260.4528-0.70210.11380.0126-0.2854-0.0588-0.3280.3976-0.03610.0040.33460.04090.3927-43.8669-10.943359.5473
267.5145-0.0205-0.29373.1902-1.110.40050.4835-1.1945-0.33310.6081-0.51510.6895-0.4823-0.0743-0.27440.8502-0.54410.30570.4909-0.01310.4679-40.5717-22.948957.4823
279.74995.80173.08623.68123.10167.96990.4594-1.07390.05870.6261-0.80850.2747-0.0906-0.73840.40580.396-0.0310.18450.5136-0.04610.4539-38.7257-6.091867.1593
282.29780.12591.67355.401-1.33861.59990.16830.3107-0.0749-1.9472-0.1115-0.35080.08310.5058-0.04950.3541-0.07340.0860.36660.0020.2938-20.8267-15.919929.4452
293.2698-2.05270.16283.46780.61411.9865-0.0072-0.4815-0.30140.44020.01430.35760.2048-0.1153-0.01620.2679-0.08060.04950.2487-0.01470.2409-23.7968-32.80114.2707
301.8564-0.71750.2182.80510.6021.32160.0269-0.15430.13530.0989-0.0883-0.0901-0.06840.07230.06240.1932-0.0520.0430.2259-0.00560.1835-18.9533-19.15110.2448
311.46260.24570.59691.91590.13538.4854-0.08380.3251-0.1316-0.25750.2119-0.002-0.07170.0159-0.10260.1923-0.0470.06520.2118-0.02890.2508-17.4019-40.0661-21.0351
322.60290.03371.08675.79570.15882.658-0.2081-0.15180.04220.10020.3089-0.0628-0.0394-0.1832-0.19270.1219-0.01350.01290.16460.01920.1141-30.8336-40.6121-8.8775
330.868-0.51530.59754.55112.64723.1890.1097-0.2011-0.17080.1508-0.20810.35680.2184-0.35460.09320.1667-0.02810.03880.2754-0.01990.2095-33.6686-39.8759-1.4783
341.7546-1.3081-0.5663.66762.32184.31130.09080.3586-0.1961-0.1731-0.22070.30180.1707-0.32890.16030.1596-0.08950.02090.29910.01320.2892-36.5182-43.657-8.7446
356.1071-5.3461-3.75454.70713.53796.9226-1.1047-0.8640.41351.51240.8367-0.6191-0.07380.25940.24260.3692-0.0239-0.04450.3650.00050.2874-19.9345-23.495718.3825
360.9556-0.9920.06195.96910.24032.4397-0.05390.0056-0.12480.04520.08020.2135-0.109-0.0681-0.02380.1819-0.06230.04450.2255-0.01730.2015-24.2183-43.646373.2602
370.6857-0.42420.09443.5802-0.07340.99820.0562-0.08420.183-0.36830.0417-0.5058-0.27950.2919-0.09980.3941-0.07840.1020.3631-0.06460.3081-12.5768-34.900469.5072
383.5783-0.17540.90192.1209-0.04475.66040.06120.6220.3036-0.48890.0096-0.14-0.39730.4124-0.03090.4152-0.04580.07970.2878-0.01940.2917-18.613-53.397438.7548
398.18582.63993.37064.12545.48917.2769-0.29470.10810.8257-0.92430.72120.0672-0.77830.1836-0.28870.46050.07070.05370.2490.02540.3357-30.0873-30.155455.0903
408.9352-5.44-2.42344.0266-0.40195.57030.61380.43760.3031-0.7359-0.91890.7328-0.60990.13720.30960.30020.0236-0.01090.2093-0.02210.2625-31.5218-47.845747.7987
417.83146.15184.91694.86833.7253.4944-0.12510.2813-1.873-0.2433-0.4979-0.62241.1202-0.6510.150.4035-0.08510.04370.379-0.16530.7035-33.6516-63.370346.0704
424.21435.30754.64356.73775.40087.40520.2071-0.1509-0.1873-0.4129-0.3710.22930.02280.1350.17920.31290.02720.01710.2482-0.07470.252-32.4873-50.180752.5703
437.92298.238.36529.28999.19469.17190.0356-0.93050.24650.274-0.74390.8918-0.2777-1.23170.60250.32160.02610.0850.30980.01440.3543-38.6953-42.342356.4428
448.9115-3.15116.50067.71520.92587.793-0.3122-1.3622-0.71340.80790.28990.7272-0.5954-1.3850.11860.46810.03940.09920.5104-0.07460.348-43.9735-52.559156.3741
451.9374-1.57611.87535.60061.42863.8421-0.04020.6503-0.0023-0.31910.1922-0.5153-0.0110.1569-0.07680.2663-0.05360.07610.3448-0.01370.2083-23.4943-39.719160.2906
466.93087.16294.97298.2515.38856.03010.1894-0.0974-0.84330.23610.02160.07420.31310.3204-0.26030.1629-0.00090.05450.1843-0.01740.3793-33.8683-51.412555.9628
475.41385.30764.79345.20334.6864.8919-0.10941.4832-0.4124-1.76950.56540.39420.2218-0.1220.02820.6487-0.0844-0.04470.746-0.19780.5888-44.641-59.042141.8179
485.61714.16264.02793.31043.32663.4142-0.1565-0.67070.19420.1826-0.35221.4128-0.2687-0.50070.30580.31160.10130.01760.3874-0.12590.5223-40.7957-39.393751.152
493.8468-3.7207-1.70449.83194.33184.75070.59931.5688-0.3859-1.787-0.51630.1537-0.3316-0.1129-0.13260.4495-0.0297-0.00870.5728-0.07180.3102-37.0445-49.936142.2156
506.5682-3.7207-0.31593.2478-2.04574.7233-1.08310.08670.12140.84680.8254-1.0072-0.45130.60620.24550.3526-0.0915-0.05340.2976-0.03050.2363-16.3426-37.242777.543
Refinement TLS group

Refinement-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection details
11chain 'A' and (resid 1 through 56 )
22chain 'A' and (resid 57 through 137 )
33chain 'A' and (resid 138 through 174 )
44chain 'A' and (resid 175 through 274 )
55chain 'B' and (resid 1 through 6 )
66chain 'B' and (resid 7 through 12 )
77chain 'B' and (resid 13 through 20 )
88chain 'B' and (resid 21 through 42 )
99chain 'B' and (resid 43 through 52 )
1010chain 'B' and (resid 53 through 72 )
1111chain 'B' and (resid 73 through 78 )
1212chain 'B' and (resid 79 through 91 )
1313chain 'B' and (resid 92 through 100 )
1414chain 'P' and (resid 1 through 9 )
1515chain 'C' and (resid 1 through 84 )
1616chain 'C' and (resid 85 through 174 )
1717chain 'C' and (resid 175 through 274 )
1818chain 'D' and (resid 1 through 12 )
1919chain 'D' and (resid 13 through 20 )
2020chain 'D' and (resid 21 through 31 )
2121chain 'D' and (resid 32 through 42 )
2222chain 'D' and (resid 43 through 52 )
2323chain 'D' and (resid 53 through 72 )
2424chain 'D' and (resid 73 through 78 )
2525chain 'D' and (resid 79 through 84 )
2626chain 'D' and (resid 85 through 91 )
2727chain 'D' and (resid 92 through 100 )
2828chain 'Q' and (resid 1 through 9 )
2929chain 'E' and (resid 1 through 84 )
3030chain 'E' and (resid 85 through 174 )
3131chain 'E' and (resid 175 through 274 )
3232chain 'F' and (resid 1 through 20 )
3333chain 'F' and (resid 21 through 62 )
3434chain 'F' and (resid 63 through 100 )
3535chain 'R' and (resid 1 through 9 )
3636chain 'G' and (resid 1 through 84 )
3737chain 'G' and (resid 85 through 174 )
3838chain 'G' and (resid 175 through 274 )
3939chain 'H' and (resid 1 through 6 )
4040chain 'H' and (resid 7 through 12 )
4141chain 'H' and (resid 13 through 20 )
4242chain 'H' and (resid 21 through 31 )
4343chain 'H' and (resid 32 through 42 )
4444chain 'H' and (resid 43 through 52 )
4545chain 'H' and (resid 53 through 62 )
4646chain 'H' and (resid 63 through 72 )
4747chain 'H' and (resid 73 through 78 )
4848chain 'H' and (resid 79 through 91 )
4949chain 'H' and (resid 92 through 100 )
5050chain 'Z' and (resid 1 through 9 )

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