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- PDB-3qaz: IL-2 mutant D10 ternary complex -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 3qaz
TitleIL-2 mutant D10 ternary complex
Components
  • Cytokine receptor common subunit gamma
  • Interleukin-2 receptor subunit betaIL-2 receptor
  • Interleukin-2Interleukin 2
KeywordsSIGNALING PROTEIN/Cytokine / cytokine receptor signaling complex / SIGNALING PROTEIN-Cytokine complex
Function / homology
Function and homology information


interleukin-7-mediated signaling pathway / mature B cell differentiation / interleukin-2 receptor complex / interleukin-2 receptor activity / CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / interleukin-15 receptor activity / interleukin-2 binding / kappa-type opioid receptor binding / regulation of CD4-positive, alpha-beta T cell proliferation / regulation of T cell homeostatic proliferation ...interleukin-7-mediated signaling pathway / mature B cell differentiation / interleukin-2 receptor complex / interleukin-2 receptor activity / CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / interleukin-15 receptor activity / interleukin-2 binding / kappa-type opioid receptor binding / regulation of CD4-positive, alpha-beta T cell proliferation / regulation of T cell homeostatic proliferation / interleukin-2 receptor binding / positive regulation of plasma cell differentiation / response to tacrolimus / glycosphingolipid binding / negative regulation of lymphocyte proliferation / positive regulation of tissue remodeling / positive regulation of T cell differentiation in thymus / negative regulation of T-helper 17 cell differentiation / RUNX1 and FOXP3 control the development of regulatory T lymphocytes (Tregs) / Interleukin-9 signaling / Interleukin-21 signaling / leukocyte activation involved in immune response / interleukin-9-mediated signaling pathway / positive regulation of isotype switching to IgG isotypes / interleukin-4-mediated signaling pathway / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / interleukin-2-mediated signaling pathway / natural killer cell activation / STAT3 nuclear events downstream of ALK signaling / activated T cell proliferation / positive regulation of regulatory T cell differentiation / protein kinase C-activating G protein-coupled receptor signaling pathway / kinase activator activity / interleukin-15-mediated signaling pathway / negative regulation of B cell apoptotic process / Interleukin-15 signaling / cytokine receptor activity / Interleukin-2 signaling / positive regulation of dendritic spine development / positive regulation of B cell differentiation / cytokine binding / positive regulation of activated T cell proliferation / positive regulation of interleukin-17 production / immunoglobulin mediated immune response / positive regulation of immunoglobulin production / T cell differentiation / Interleukin receptor SHC signaling / coreceptor activity / positive regulation of phagocytosis / positive regulation of B cell proliferation / positive regulation of tyrosine phosphorylation of STAT protein / extrinsic apoptotic signaling pathway in absence of ligand / Interleukin-7 signaling / negative regulation of protein phosphorylation / cytokine activity / growth factor activity / negative regulation of inflammatory response / positive regulation of inflammatory response / cytokine-mediated signaling pathway / positive regulation of type II interferon production / cell-cell signaling / T cell differentiation in thymus / gene expression / positive regulation of cytosolic calcium ion concentration / RAF/MAP kinase cascade / positive regulation of cell growth / carbohydrate binding / protein-containing complex assembly / response to ethanol / Interleukin-4 and Interleukin-13 signaling / transcription by RNA polymerase II / adaptive immune response / receptor complex / cell adhesion / endosome / immune response / external side of plasma membrane / positive regulation of cell population proliferation / positive regulation of gene expression / negative regulation of apoptotic process / cell surface / endoplasmic reticulum / signal transduction / positive regulation of transcription by RNA polymerase II / extracellular space / extracellular region / nucleoplasm / membrane / plasma membrane / cytosol
Similarity search - Function
Interleukin-2 receptor subunit beta, N-terminal / Interleukin-2 receptor subunit beta N-terminal domain 1 / : / : / Cytokine receptor-like factor 2-like, D1 domain / Cytokine receptor-like factor 2-like, D2 domain / Interleukin-2 / Interleukin-2, conserved site / Interleukin 2 / Interleukin-2 signature. ...Interleukin-2 receptor subunit beta, N-terminal / Interleukin-2 receptor subunit beta N-terminal domain 1 / : / : / Cytokine receptor-like factor 2-like, D1 domain / Cytokine receptor-like factor 2-like, D2 domain / Interleukin-2 / Interleukin-2, conserved site / Interleukin 2 / Interleukin-2 signature. / Interleukin-2 family / Short hematopoietin receptor family 1 signature. / Interleukin-6 receptor alpha chain, binding / Short hematopoietin receptor, family 1, conserved site / Growth Hormone; Chain: A; - #10 / Four-helical cytokine-like, core / Growth Hormone; Chain: A; / Fibronectin type 3 domain / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / Immunoglobulins / Immunoglobulin-like fold / Up-down Bundle / Immunoglobulin-like / Sandwich / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
Interleukin-2 receptor subunit beta / Cytokine receptor common subunit gamma / Interleukin-2
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.802 Å
AuthorsLevin, A.M. / Bates, D.L. / Ring, A.M. / Lin, J.T. / Su, L. / Krieg, C. / Bowman, G.R. / Novick, P. / Pande, V.S. / Khort, H.E. ...Levin, A.M. / Bates, D.L. / Ring, A.M. / Lin, J.T. / Su, L. / Krieg, C. / Bowman, G.R. / Novick, P. / Pande, V.S. / Khort, H.E. / Boyman, O. / Gathman, C.G. / Garcia, K.C.
CitationJournal: Nature / Year: 2012
Title: Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Authors: Levin, A.M. / Bates, D.L. / Ring, A.M. / Krieg, C. / Lin, J.T. / Su, L. / Moraga, I. / Raeber, M.E. / Bowman, G.R. / Novick, P. / Pande, V.S. / Fathman, C.G. / Boyman, O. / Garcia, K.C.
History
DepositionJan 12, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 11, 2012Provider: repository / Type: Initial release
Revision 1.1Oct 15, 2014Group: Structure summary
Revision 1.2Jul 29, 2020Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_ref_seq_dif / struct_site / struct_site_gen
Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Interleukin-2
B: Interleukin-2 receptor subunit beta
C: Cytokine receptor common subunit gamma
D: Interleukin-2
E: Interleukin-2 receptor subunit beta
F: Cytokine receptor common subunit gamma
G: Interleukin-2
H: Interleukin-2 receptor subunit beta
I: Cytokine receptor common subunit gamma
J: Interleukin-2
K: Interleukin-2 receptor subunit beta
L: Cytokine receptor common subunit gamma
M: Interleukin-2
N: Interleukin-2 receptor subunit beta
O: Cytokine receptor common subunit gamma
P: Interleukin-2
Q: Interleukin-2 receptor subunit beta
R: Cytokine receptor common subunit gamma
S: Interleukin-2
T: Interleukin-2 receptor subunit beta
U: Cytokine receptor common subunit gamma
V: Interleukin-2
W: Interleukin-2 receptor subunit beta
X: Cytokine receptor common subunit gamma
Y: Interleukin-2
Z: Interleukin-2 receptor subunit beta
a: Cytokine receptor common subunit gamma
b: Interleukin-2
c: Interleukin-2 receptor subunit beta
d: Cytokine receptor common subunit gamma
e: Interleukin-2
f: Interleukin-2 receptor subunit beta
g: Cytokine receptor common subunit gamma
h: Interleukin-2
i: Interleukin-2 receptor subunit beta
j: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)791,55590
Polymers779,61036
Non-polymers11,94554
Water0
1
A: Interleukin-2
B: Interleukin-2 receptor subunit beta
C: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)66,2959
Polymers64,9683
Non-polymers1,3276
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Interleukin-2
E: Interleukin-2 receptor subunit beta
F: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)66,2959
Polymers64,9683
Non-polymers1,3276
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: Interleukin-2
H: Interleukin-2 receptor subunit beta
I: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)66,2959
Polymers64,9683
Non-polymers1,3276
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
J: Interleukin-2
K: Interleukin-2 receptor subunit beta
L: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)66,2959
Polymers64,9683
Non-polymers1,3276
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
M: Interleukin-2
N: Interleukin-2 receptor subunit beta
O: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)66,2959
Polymers64,9683
Non-polymers1,3276
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
P: Interleukin-2
Q: Interleukin-2 receptor subunit beta
R: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)66,2959
Polymers64,9683
Non-polymers1,3276
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
S: Interleukin-2
T: Interleukin-2 receptor subunit beta
U: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,6316
Polymers64,9683
Non-polymers6643
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
V: Interleukin-2
W: Interleukin-2 receptor subunit beta
X: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,6316
Polymers64,9683
Non-polymers6643
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
Y: Interleukin-2
Z: Interleukin-2 receptor subunit beta
a: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,6316
Polymers64,9683
Non-polymers6643
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
b: Interleukin-2
c: Interleukin-2 receptor subunit beta
d: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,6316
Polymers64,9683
Non-polymers6643
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
11
e: Interleukin-2
f: Interleukin-2 receptor subunit beta
g: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,6316
Polymers64,9683
Non-polymers6643
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
12
h: Interleukin-2
i: Interleukin-2 receptor subunit beta
j: Cytokine receptor common subunit gamma
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,6316
Polymers64,9683
Non-polymers6643
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)118.226, 118.099, 236.115
Angle α, β, γ (deg.)99.86, 99.86, 99.74
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
Interleukin-2 / Interleukin 2 / IL-2 / T-cell growth factor / TCGF


Mass: 15727.153 Da / Num. of mol.: 12 / Fragment: unp residues 21-153
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IL2 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P60568
#2: Protein
Interleukin-2 receptor subunit beta / IL-2 receptor / IL-2 receptor subunit beta / IL-2R subunit beta / IL-2RB / High affinity IL-2 receptor subunit beta ...IL-2 receptor subunit beta / IL-2R subunit beta / IL-2RB / High affinity IL-2 receptor subunit beta / p70-75 / p75


Mass: 25044.402 Da / Num. of mol.: 12 / Fragment: unp residues 24-240 / Mutation: N29Q, N43Q, N71Q
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IL2RB / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P14784
#3: Protein
Cytokine receptor common subunit gamma / Interleukin-2 receptor subunit gamma / IL-2 receptor subunit gamma / IL-2R subunit gamma / IL-2RG / p64


Mass: 24195.963 Da / Num. of mol.: 12 / Fragment: unp residues 56-254 / Mutation: N75Q
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IL2RG / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P31785
#4: Sugar...
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 54 / 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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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 4.02 Å3/Da / Density % sol: 69.39 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: 100 mM Bis-Tris, 200 mM NH4SO4, 25% PEG-3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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Data collection

DiffractionMean temperature: 200 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.97 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Sep 20, 2010
RadiationMonochromator: U50 Undulator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97 Å / Relative weight: 1
ReflectionResolution: 3.8→52.2 Å / Num. all: 112967 / Num. obs: 111113 / % possible obs: 93.4 % / Observed criterion σ(F): 1.97 / Observed criterion σ(I): 2.08 / Redundancy: 2.1 %
Reflection shellResolution: 3.8023→3.9381 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.428 / Mean I/σ(I) obs: 2.08 / Num. unique all: 112735 / Rsym value: 0.229 / % possible all: 98.7

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHASERphasing
PHENIX(phenix.refine: dev_621)refinement
HKL-2000data reduction
SCALEPACKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.802→52.191 Å / SU ML: 0.57 / σ(F): 1.97 / Phase error: 44.21 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.344 1854 1.67 %RANDOM
Rwork0.291 ---
obs0.292 111113 93.2 %-
all-112967 --
Solvent computationShrinkage radii: 0.16 Å / VDW probe radii: 0.5 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 50.719 Å2 / ksol: 0.309 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1--9.721 Å25.4178 Å21.2927 Å2
2---7.0751 Å22.2275 Å2
3---4.676 Å2
Refinement stepCycle: LAST / Resolution: 3.802→52.191 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms50806 0 756 0 51562
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00653246
X-RAY DIFFRACTIONf_angle_d1.08572229
X-RAY DIFFRACTIONf_dihedral_angle_d16.5119627
X-RAY DIFFRACTIONf_chiral_restr0.0737957
X-RAY DIFFRACTIONf_plane_restr0.0059030
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.8023-3.93810.35981170.32176472X-RAY DIFFRACTION55
3.9381-4.09570.33371710.297311382X-RAY DIFFRACTION97
4.0957-4.28210.33082050.288711555X-RAY DIFFRACTION99
4.2821-4.50770.341990.285311631X-RAY DIFFRACTION99
4.5077-4.790.32781970.268311597X-RAY DIFFRACTION99
4.79-5.15950.33522120.252711638X-RAY DIFFRACTION99
5.1595-5.67810.31741960.257811639X-RAY DIFFRACTION99
5.6781-6.49850.40321960.281511584X-RAY DIFFRACTION99
6.4985-8.18230.33271910.278111650X-RAY DIFFRACTION99
8.1823-52.1960.35061700.331410111X-RAY DIFFRACTION86
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)
10.2363-0.01310.2429-0.0137-0.0370.27440.09690.12180.07540.1099-0.00780.0529-0.11860.4438-0.11320.24720.33830.46380.7901-0.42930.0656-37.18855.87144.7166
20.63060.15370.10010.2890.12040.0361-0.277-0.58020.11750.378-0.1160.03270.2055-0.17040.1337-0.15830.38330.6475-0.0911-0.6675-0.4362-37.11414.92464.5589
30.0631-0.00920.0870.20210.11850.1366-0.2945-0.08050.02190.1168-0.06220.0670.0936-0.09560.04150.14451.46280.17750.0641-0.75620.1191-37.9447-19.2358-14.054
4-0.0071-0.14950.0074-0.01870.10280.08450.41310.14060.0602-0.10480.0202-0.0405-0.3517-0.2054-0.02740.00431.4516-0.3038-0.4226-0.6668-0.4359-41.6915-10.41-18.2624
50.2173-0.2029-0.05260.4292-0.07350.0695-0.07580.0476-0.0848-0.11490.11350.13220.26060.1392-0.04010.79020.3685-0.18910.5938-0.22690.6756-50.59592.4637-30.9238
60.24820.0631-0.25360.0342-0.00040.8288-0.1770.0245-0.22330.0417-0.17850.06530.1918-0.29230.13270.0428-0.5959-0.73980.53770.02360.9595-48.0359-2.6369-27.7893
70.29180.41290.070.76520.32540.3382-0.1468-0.09240.087-0.1431-0.24490.2564-0.21140.05480.13050.97960.70640.22840.58360.00980.9689-37.233137.66153.5005
80.08360.06620.01130.2266-0.13360.0998-0.0698-0.0304-0.01240.1679-0.1291-0.1871-0.19890.13540.08320.2461-1.00860.5039-0.14380.57730.0409-36.575432.00494.669
90.0007-0.03560.00940.4531-0.14780.0690.11080.05470.02070.1201-0.0775-0.0221-0.0989-0.0594-0.03091.10340.166-0.34291.17160.16141.0587-42.915920.1201-26.9144
100.0646-0.0555-0.01160.1116-0.02440.0205-0.01080.0769-0.031-0.1117-0.12320.06320.033-0.0840.00640.1240.1609-0.8902-0.1968-0.20060.2843-47.770717.9668-27.4069
110.10810.0032-0.03790.15040.24090.3998-0.03110.054-0.07760.1312-0.0076-0.21170.16730.0020.09961.2378-0.14930.36820.668-0.070.6178-43.276323.1316-16.7268
120.1206-0.07250.06260.1202-0.0008-0.0651-0.1291-0.0122-0.05830.1654-0.0651-0.34910.1160.15510.0475-1.1016-0.222-1.4088-0.8803-0.0668-0.7705-83.9312-0.7536-38.6775
130.16130.0160.08170.29540.24310.35920.0715-0.1182-0.37860.4895-0.1230.12060.5141-0.0141-0.00720.41120.2613-0.0817-0.6187-1.1629-0.4497-83.869-0.6485-39.5889
140.04890.06180.1240.03160.08790.22150.13650.3634-0.02120.08670.0265-0.1010.270.1218-0.09570.4637-0.5163-0.32571.20040.24480.3642-97.0287-3.5607-67.0931
150.13490.15190.16110.47240.05220.22390.18920.5768-0.0751-0.31150.29760.1539-0.3820.1412-0.18371.4333-0.2576-0.1576-0.1754-0.04560.0855-102.0964-8.4044-59.318
160.03690.0287-0.07460.0771-0.1070.3297-0.1880.2124-0.1618-0.39880.26380.1040.3464-0.18560.10360.2937-0.3615-0.2631-0.5657-0.73390.0296-115.4045-19.7752-49.3329
170.06850.13820.00120.2650.00520.0678-0.01360.1463-0.3313-0.1378-0.0528-0.03420.3418-0.0210.02170.80790.0961-0.2817-0.12040.29980.6337-111.826-16.5576-53.6117
180.3615-0.45490.06460.5911-0.06770.25870.0937-0.20670.09940.06170.0484-0.3480.16140.2234-0.04080.5604-0.64190.22381.08790.20350.5297-91.7206-1.7158-8.162
190.01220.00550.0295-0.03630.01160.0392-0.08770.03520.08380.1668-0.0342-0.1063-0.1-0.06550.0096-0.5306-0.12030.55580.7358-0.6644-0.5647-89.4144-1.0805-13.083
200.39820.3207-0.27720.497-0.11290.32850.3735-0.15740.1194-0.0840.17950.3915-0.00320.0606-0.21280.8697-0.1815-0.65970.3948-0.65371.4288-116.348-12.289-31.3797
210.1655-0.03-0.14130.02390.02950.12260.15190.28480.0552-0.26880.1562-0.1336-0.29650.1102-0.05890.3487-1.08420.64640.1574-0.28370.3898-115.5436-17.1032-33.5274
220.0039-0.0315-0.00420.24970.13510.075-0.17810.1166-0.0151-0.2155-0.31350.0478-0.09610.18090.17090.80650.189-0.31860.83630.28570.5303-107.1406-10.9877-26.1294
230.1966-0.0243-0.19460.27030.17330.3396-0.0434-0.1188-0.0305-0.0566-0.2672-0.0517-0.06260.02130.08960.3614-0.38890.3580.3957-0.18060.9123-38.577138.692659.8208
24-0.035-0.00110.01110.05080.05210.0489-0.07840.2508-0.0136-0.1193-0.13060.0769-0.08350.08370.0736-0.5497-0.0239-0.4252-1.0392-0.68340.4294-39.593438.485259.6543
250.0821-0.2661-0.08321.038-0.07470.6671-0.0560.0943-0.0622-0.15020.04410.58860.3139-0.26220.01330.31040.2665-0.2881-0.2282-0.48980.2798-63.298121.100851.1291
260.27890.1018-0.17990.1199-0.14160.0733-0.065-0.2320.0389-0.3772-0.1008-0.02910.33170.33280.03340.24620.2492-0.12531.03270.04860.1759-53.999417.585147.996
270.1103-0.03730.06530.2056-0.13940.09590.004-0.1968-0.07110.3834-0.04880.0345-0.1187-0.04980.01511.07530.441-0.22770.46240.05810.3882-39.75646.596138.9421
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1100.0008-0.0068-0.02130.35340.35080.7112-0.1289-0.22860.1016-0.04470.1316-0.5927-0.03510.3645-0.09270.39670.24190.56040.86970.24271.0474-95.030424.802820.8868
1110.0552-0.03650.16510.0343-0.0661-0.06740.0541-0.28550.3070.4401-0.1974-0.2285-0.48430.15450.0492-3.7339-0.7511-1.1103-3.15630.8251-0.9026-108.485-7.6179197.4256
1120.6031-0.21930.45620.1538-0.27450.60860.2175-0.5745-0.01940.48450.32960.43660.5787-0.5011-0.1369-1.70891.3539-1.4903-2.1460.4806-0.9993-108.0498-7.3618196.6099
1130.0647-0.0101-0.0407-0.0172-0.0457-0.0383-0.01840.30060.1833-0.27580.1404-0.1925-0.22340.2626-0.017-2.39412.13-0.1715-1.2045-0.5472-1.1117-99.778912.4566174.8423
1140.02030.09950.17030.34930.15030.86260.0811-0.2140.28470.04390.07740.7432-0.0456-1.29940.1082-1.70230.9528-0.4867-1.0012-0.8824-0.3347-107.306716.0994181.2417
1150.30730.18390.11140.10960.07860.05330.1136-0.18120.02910.06020.2071-0.14470.13460.1188-0.10250.39960.29790.17480.9845-0.04931.4393-121.686127.4367189.1752
1160.6769-0.37350.37460.1908-0.17840.14760.14450.0645-0.10060.05890.3116-0.14680.00930.5184-0.269-0.033-0.2396-0.08740.3656-0.21550.7897-116.972724.711185.7774
1170.08630.0183-0.0130.11780.21210.34680.1371-0.0043-0.09030.01050.1119-0.00340.01870.175-0.07180.7930.72140.25140.6743-0.00550.3661-122.8494-8.1207226.4209
1180.492-0.16970.70390.2011-0.39441.10440.377-0.00010.0557-0.20010.2426-0.05110.3065-0.4665-0.12730.99030.09840.50211.3315-0.1850.8373-119.2286-8.5847221.2881
1190.1195-0.0361-0.0040.34640.20850.1108-0.0474-0.09260.12090.20910.0512-0.2530.09160.1499-0.04140.60790.3152-0.10860.8165-0.4650.8068-121.777523.2659208.2635
1200.2676-0.2113-0.06640.16330.03740.0276-0.062-0.043-0.05460.0646-0.00120.1357-0.0336-0.01010.00111.18540.46570.52441.12970.48471.2654-125.533223.5689204.2181
1210.0524-0.0553-0.11620.14170.10130.3008-0.1834-0.1181-0.0001-0.0623-0.0808-0.00890.2573-0.03350.07141.1086-0.1722-0.23230.7592-0.25690.7084-122.868912.9059210.8543
1220.40080.16150.09730.01970.05640.01190.02270.129-0.2662-0.1612-0.0602-0.03760.01960.2142-0.04130.5746-0.5141-0.22080.1078-0.13480.3655-41.365154.2107101.663
1230.45360.2372-0.35790.2119-0.20040.2173-0.4141-0.4581-0.39780.284-0.1893-0.03790.301-0.01640.0981-0.4676-1.36770.7304-0.9236-0.2302-0.9155-42.366154.4928101.7443
1240.1588-0.03680.04150.0132-0.04680.1509-0.00170.04990.06090.05630.12940.1899-0.2829-0.0870.0501-0.06230.2634-1.15150.14140.0638-0.3973-68.858858.2188116.7254
1250.69860.54720.19440.4090.25710.95550.836-0.03960.02990.59150.5651-0.08490.44760.1412-0.25350.5842-0.6381-0.5589-0.5866-0.2494-0.1529-62.050551.7944121.4882
1260.03320.0412-0.00970.9044-0.03210.021-0.0605-0.0634-0.10080.0279-0.0635-0.0013-0.3865-0.0380.09912.2406-0.09850.5520.16660.3041.0754-54.225238.5818134.3045
1270.6560.1464-0.39510.0992-0.2680.6860.01480.10910.249-0.08870.1690.0842-0.22660.0505-0.11540.7346-0.34850.12070.81660.45510.8682-57.87542.6018130.8857
1280.01070.010.00850.03970.01250.0023-0.0306-0.0726-0.18410.0549-0.0097-0.17380.08560.0940.047-0.01360.3418-0.0745-0.36990.47410.4577-10.82843.7701106.9918
1290.3927-0.22010.2090.1731-0.04360.1386-0.2897-0.58640.14470.3020.210.086-0.1916-0.27610.05740.16890.61380.0020.506-0.10980.256-16.368246.7813105.5603
1300.0624-0.0095-0.06040.12070.07120.0561-0.12710.0306-0.0022-0.075-0.13030.0187-0.20780.06320.05950.8460.4194-0.56970.3178-0.02550.7597-35.131241.8056134.148
1310.09490.101-0.33660.1273-0.39411.191-0.158-0.0943-0.2501-0.0414-0.0783-0.23310.24510.14990.09540.20990.2273-0.6173-0.21630.15170.596-38.321937.4779133.4618
1320.25060.0038-0.05890.0674-0.09990.2960.1117-0.06020.05050.1087-0.0104-0.056-0.006-0.1102-0.07420.31150.2235-0.13261.15470.17950.7123-30.217341.4175124.401
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resseq 6:68)
2X-RAY DIFFRACTION2chain 'A' and (resseq 69:133)
3X-RAY DIFFRACTION3chain 'B' and (resseq 6:71)
4X-RAY DIFFRACTION4chain 'B' and (resseq 72:131)
5X-RAY DIFFRACTION5chain 'B' and (resseq 132:181)
6X-RAY DIFFRACTION6chain 'B' and (resseq 182:207)
7X-RAY DIFFRACTION7chain 'C' and (resseq 34:93)
8X-RAY DIFFRACTION8chain 'C' and (resseq 94:133)
9X-RAY DIFFRACTION9chain 'C' and (resseq 134:173)
10X-RAY DIFFRACTION10chain 'C' and (resseq 174:203)
11X-RAY DIFFRACTION11chain 'C' and (resseq 204:224)
12X-RAY DIFFRACTION12chain 'D' and (resseq 6:68)
13X-RAY DIFFRACTION13chain 'D' and (resseq 69:133)
14X-RAY DIFFRACTION14chain 'E' and (resseq 6:71)
15X-RAY DIFFRACTION15chain 'E' and (resseq 72:131)
16X-RAY DIFFRACTION16chain 'E' and (resseq 132:181)
17X-RAY DIFFRACTION17chain 'E' and (resseq 182:207)
18X-RAY DIFFRACTION18chain 'F' and (resseq 34:93)
19X-RAY DIFFRACTION19chain 'F' and (resseq 94:133)
20X-RAY DIFFRACTION20chain 'F' and (resseq 134:173)
21X-RAY DIFFRACTION21chain 'F' and (resseq 174:203)
22X-RAY DIFFRACTION22chain 'F' and (resseq 204:224)
23X-RAY DIFFRACTION23chain 'G' and (resseq 6:68)
24X-RAY DIFFRACTION24chain 'G' and (resseq 69:133)
25X-RAY DIFFRACTION25chain 'H' and (resseq 6:71)
26X-RAY DIFFRACTION26chain 'H' and (resseq 72:131)
27X-RAY DIFFRACTION27chain 'H' and (resseq 132:181)
28X-RAY DIFFRACTION28chain 'H' and (resseq 182:207)
29X-RAY DIFFRACTION29chain 'I' and (resseq 34:93)
30X-RAY DIFFRACTION30chain 'I' and (resseq 94:133)
31X-RAY DIFFRACTION31chain 'I' and (resseq 134:173)
32X-RAY DIFFRACTION32chain 'I' and (resseq 174:203)
33X-RAY DIFFRACTION33chain 'I' and (resseq 204:224)
34X-RAY DIFFRACTION34chain 'J' and (resseq 6:68)
35X-RAY DIFFRACTION35chain 'J' and (resseq 69:133)
36X-RAY DIFFRACTION36chain 'K' and (resseq 6:71)
37X-RAY DIFFRACTION37chain 'K' and (resseq 72:131)
38X-RAY DIFFRACTION38chain 'K' and (resseq 132:181)
39X-RAY DIFFRACTION39chain 'K' and (resseq 182:207)
40X-RAY DIFFRACTION40chain 'L' and (resseq 34:93)
41X-RAY DIFFRACTION41chain 'L' and (resseq 94:133)
42X-RAY DIFFRACTION42chain 'L' and (resseq 134:173)
43X-RAY DIFFRACTION43chain 'L' and (resseq 174:203)
44X-RAY DIFFRACTION44chain 'L' and (resseq 204:224)
45X-RAY DIFFRACTION45chain 'M' and (resseq 6:68)
46X-RAY DIFFRACTION46chain 'M' and (resseq 69:133)
47X-RAY DIFFRACTION47chain 'N' and (resseq 6:71)
48X-RAY DIFFRACTION48chain 'N' and (resseq 72:131)
49X-RAY DIFFRACTION49chain 'N' and (resseq 132:181)
50X-RAY DIFFRACTION50chain 'N' and (resseq 182:207)
51X-RAY DIFFRACTION51chain 'O' and (resseq 34:93)
52X-RAY DIFFRACTION52chain 'O' and (resseq 94:133)
53X-RAY DIFFRACTION53chain 'O' and (resseq 134:173)
54X-RAY DIFFRACTION54chain 'O' and (resseq 174:203)
55X-RAY DIFFRACTION55chain 'O' and (resseq 204:224)
56X-RAY DIFFRACTION56chain 'P' and (resseq 6:68)
57X-RAY DIFFRACTION57chain 'P' and (resseq 69:133)
58X-RAY DIFFRACTION58chain 'Q' and (resseq 6:71)
59X-RAY DIFFRACTION59chain 'Q' and (resseq 72:131)
60X-RAY DIFFRACTION60chain 'Q' and (resseq 132:181)
61X-RAY DIFFRACTION61chain 'Q' and (resseq 182:207)
62X-RAY DIFFRACTION62chain 'R' and (resseq 34:93)
63X-RAY DIFFRACTION63chain 'R' and (resseq 94:133)
64X-RAY DIFFRACTION64chain 'R' and (resseq 134:173)
65X-RAY DIFFRACTION65chain 'R' and (resseq 174:203)
66X-RAY DIFFRACTION66chain 'R' and (resseq 204:224)
67X-RAY DIFFRACTION67chain 'S' and (resseq 6:68)
68X-RAY DIFFRACTION68chain 'S' and (resseq 69:133)
69X-RAY DIFFRACTION69chain 'T' and (resseq 6:71)
70X-RAY DIFFRACTION70chain 'T' and (resseq 72:131)
71X-RAY DIFFRACTION71chain 'T' and (resseq 132:181)
72X-RAY DIFFRACTION72chain 'T' and (resseq 182:207)
73X-RAY DIFFRACTION73chain 'U' and (resseq 34:93)
74X-RAY DIFFRACTION74chain 'U' and (resseq 94:133)
75X-RAY DIFFRACTION75chain 'U' and (resseq 134:173)
76X-RAY DIFFRACTION76chain 'U' and (resseq 174:203)
77X-RAY DIFFRACTION77chain 'U' and (resseq 204:224)
78X-RAY DIFFRACTION78chain 'V' and (resseq 6:68)
79X-RAY DIFFRACTION79chain 'V' and (resseq 69:133)
80X-RAY DIFFRACTION80chain 'W' and (resseq 6:71)
81X-RAY DIFFRACTION81chain 'W' and (resseq 72:131)
82X-RAY DIFFRACTION82chain 'W' and (resseq 132:181)
83X-RAY DIFFRACTION83chain 'W' and (resseq 182:207)
84X-RAY DIFFRACTION84chain 'X' and (resseq 34:93)
85X-RAY DIFFRACTION85chain 'X' and (resseq 94:133)
86X-RAY DIFFRACTION86chain 'X' and (resseq 134:173)
87X-RAY DIFFRACTION87chain 'X' and (resseq 174:203)
88X-RAY DIFFRACTION88chain 'X' and (resseq 204:224)
89X-RAY DIFFRACTION89chain 'Y' and (resseq 6:68)
90X-RAY DIFFRACTION90chain 'Y' and (resseq 69:133)
91X-RAY DIFFRACTION91chain 'Z' and (resseq 6:71)
92X-RAY DIFFRACTION92chain 'Z' and (resseq 72:131)
93X-RAY DIFFRACTION93chain 'Z' and (resseq 132:181)
94X-RAY DIFFRACTION94chain 'Z' and (resseq 182:207)
95X-RAY DIFFRACTION95chain 'a' and (resseq 34:93)
96X-RAY DIFFRACTION96chain 'a' and (resseq 94:133)
97X-RAY DIFFRACTION97chain 'a' and (resseq 134:173)
98X-RAY DIFFRACTION98chain 'a' and (resseq 174:203)
99X-RAY DIFFRACTION99chain 'a' and (resseq 204:224)
100X-RAY DIFFRACTION100chain 'b' and (resseq 6:68)
101X-RAY DIFFRACTION101chain 'b' and (resseq 69:133)
102X-RAY DIFFRACTION102chain 'c' and (resseq 6:71)
103X-RAY DIFFRACTION103chain 'c' and (resseq 72:131)
104X-RAY DIFFRACTION104chain 'c' and (resseq 132:181)
105X-RAY DIFFRACTION105chain 'c' and (resseq 182:207)
106X-RAY DIFFRACTION106chain 'd' and (resseq 34:93)
107X-RAY DIFFRACTION107chain 'd' and (resseq 94:133)
108X-RAY DIFFRACTION108chain 'd' and (resseq 134:173)
109X-RAY DIFFRACTION109chain 'd' and (resseq 174:203)
110X-RAY DIFFRACTION110chain 'd' and (resseq 204:224)
111X-RAY DIFFRACTION111chain 'e' and (resseq 6:68)
112X-RAY DIFFRACTION112chain 'e' and (resseq 69:133)
113X-RAY DIFFRACTION113chain 'f' and (resseq 6:71)
114X-RAY DIFFRACTION114chain 'f' and (resseq 72:131)
115X-RAY DIFFRACTION115chain 'f' and (resseq 132:181)
116X-RAY DIFFRACTION116chain 'f' and (resseq 182:207)
117X-RAY DIFFRACTION117chain 'g' and (resseq 34:93)
118X-RAY DIFFRACTION118chain 'g' and (resseq 94:133)
119X-RAY DIFFRACTION119chain 'g' and (resseq 134:173)
120X-RAY DIFFRACTION120chain 'g' and (resseq 174:203)
121X-RAY DIFFRACTION121chain 'g' and (resseq 204:224)
122X-RAY DIFFRACTION122chain 'h' and (resseq 6:68)
123X-RAY DIFFRACTION123chain 'h' and (resseq 69:133)
124X-RAY DIFFRACTION124chain 'i' and (resseq 6:71)
125X-RAY DIFFRACTION125chain 'i' and (resseq 72:131)
126X-RAY DIFFRACTION126chain 'i' and (resseq 132:181)
127X-RAY DIFFRACTION127chain 'i' and (resseq 182:207)
128X-RAY DIFFRACTION128chain 'j' and (resseq 34:93)
129X-RAY DIFFRACTION129chain 'j' and (resseq 94:133)
130X-RAY DIFFRACTION130chain 'j' and (resseq 134:173)
131X-RAY DIFFRACTION131chain 'j' and (resseq 174:203)
132X-RAY DIFFRACTION132chain 'j' and (resseq 204:224)

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