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- PDB-8idq: Crystal structure of reducing-end xylose-releasing exoxylanase in... -

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Basic information

Entry
Database: PDB / ID: 8idq
TitleCrystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus with xylose
ComponentsReducing-end xylose-releasing exoxylanase Xyn30A
KeywordsHYDROLASE
Function / homology
Function and homology information


glucosylceramidase activity / sphingolipid metabolic process / xylan catabolic process
Similarity search - Function
Glycosyl hydrolase family 30, TIM-barrel domain / Glycosyl hydrolase family 30 TIM-barrel domain / Glycosyl hydrolase family 30, beta sandwich domain / Glycosyl hydrolase family 30 beta sandwich domain / Glycoside hydrolase family 30 / Glycosyl hydrolase, all-beta / Glycoside hydrolase superfamily
Similarity search - Domain/homology
beta-D-xylopyranose / Reducing-end xylose-releasing exoxylanase Xyn30A
Similarity search - Component
Biological speciesTalaromyces pinophilus (fungus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å
AuthorsNakamichi, Y. / Watanabe, M. / Fujii, T. / Inoue, H. / Morita, T.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Proteins / Year: 2023
Title: Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30.
Authors: Nakamichi, Y. / Watanabe, M. / Fujii, T. / Inoue, H. / Morita, T.
History
DepositionFeb 14, 2023Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0May 17, 2023Provider: repository / Type: Initial release
Revision 1.1Aug 23, 2023Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Reducing-end xylose-releasing exoxylanase Xyn30A
B: Reducing-end xylose-releasing exoxylanase Xyn30A
C: Reducing-end xylose-releasing exoxylanase Xyn30A
D: Reducing-end xylose-releasing exoxylanase Xyn30A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)220,36038
Polymers204,3064
Non-polymers16,05334
Water29,2741625
1
A: Reducing-end xylose-releasing exoxylanase Xyn30A
C: Reducing-end xylose-releasing exoxylanase Xyn30A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)109,83317
Polymers102,1532
Non-polymers7,68015
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15990 Å2
ΔGint138 kcal/mol
Surface area31120 Å2
MethodPISA
2
B: Reducing-end xylose-releasing exoxylanase Xyn30A
D: Reducing-end xylose-releasing exoxylanase Xyn30A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)110,52621
Polymers102,1532
Non-polymers8,37319
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area17620 Å2
ΔGint163 kcal/mol
Surface area30800 Å2
MethodPISA
Unit cell
Length a, b, c (Å)138.249, 120.159, 122.886
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
Reducing-end xylose-releasing exoxylanase Xyn30A


Mass: 51076.543 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Talaromyces pinophilus (fungus) / Gene: TCE0_047r17950 / Production host: Talaromyces pinophilus (fungus) / References: UniProt: A0A0B8MZ29

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Sugars , 8 types, 24 molecules

#2: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1883.668 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-2DManpa1-3[DManpa1-2DManpa1-3[DManpa1-2DManpa1-6]DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1_g6-j1_h2-i1_j2-k1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}[(6+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#3: Polysaccharide
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}LINUCSPDB-CARE
#4: Polysaccharide alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D- ...alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1072.964 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpa1-6[DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3/a4-b1_b4-c1_c3-d1_c6-e1_e3-f1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#5: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1721.527 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-3[DManpa1-2DManpa1-6]DManpa1-6[DManpa1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f3-g1_f6-i1_g2-h1_i2-j1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}[(6+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#6: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1559.386 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-6[DManpa1-3]DManpa1-6[DManpa1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f3-g1_f6-h1_h2-i1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#7: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3/a4-b1_b4-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}LINUCSPDB-CARE
#8: 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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 8 / 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
#10: Sugar
ChemComp-XYP / beta-D-xylopyranose / beta-D-xylose / D-xylose / xylose / Xylose


Type: D-saccharide, beta linking / Mass: 150.130 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C5H10O5 / Feature type: SUBJECT OF INVESTIGATION
IdentifierTypeProgram
DXylpbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
b-D-xylopyranoseCOMMON NAMEGMML 1.0
b-D-XylpIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
XylSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 3 types, 1635 molecules

#9: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C3H8O3
#11: Chemical ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#12: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1625 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 2.5 Å3/Da / Density % sol: 50.76 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 22% PEG 6000, 0.1 M Tris-HCl, 0.2 M lithium chloride

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SPring-8 / Beamline: BL44XU / Wavelength: 0.9 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 22, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9 Å / Relative weight: 1
ReflectionResolution: 1.7→45.94 Å / Num. obs: 222295 / % possible obs: 99.2 % / Redundancy: 4.9 % / Biso Wilson estimate: 13.71 Å2 / CC1/2: 0.977 / Rpim(I) all: 0.107 / Net I/σ(I): 9
Reflection shellResolution: 1.7→1.76 Å / Mean I/σ(I) obs: 2.4 / Num. unique obs: 22012 / CC1/2: 0.799 / Rpim(I) all: 0.395

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Processing

Software
NameVersionClassification
XDSMar 15, 2019data scaling
XDSMar 15, 2019data reduction
MOLREP11.6phasing
PHENIX11.2refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.7→45.35 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.08 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2332 11109 5 %0
Rwork0.199 ---
obs0.2007 222165 99.13 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 1.7→45.35 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13926 0 1066 1625 16617
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.007
X-RAY DIFFRACTIONf_angle_d0.896
X-RAY DIFFRACTIONf_dihedral_angle_d6.7622660
X-RAY DIFFRACTIONf_chiral_restr0.0542501
X-RAY DIFFRACTIONf_plane_restr0.0072653
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.7-1.720.28983620.24696887X-RAY DIFFRACTION98
1.72-1.740.28083690.247000X-RAY DIFFRACTION100
1.74-1.760.25433690.22097022X-RAY DIFFRACTION100
1.76-1.780.2753670.21426968X-RAY DIFFRACTION100
1.78-1.810.25763700.20497030X-RAY DIFFRACTION100
1.81-1.830.25983700.20697016X-RAY DIFFRACTION100
1.83-1.860.25563670.2116975X-RAY DIFFRACTION100
1.86-1.890.23473700.20187039X-RAY DIFFRACTION100
1.89-1.910.25893690.20757005X-RAY DIFFRACTION100
1.91-1.950.25513690.2197014X-RAY DIFFRACTION99
1.95-1.980.25773690.217014X-RAY DIFFRACTION100
1.98-2.020.24313700.27013X-RAY DIFFRACTION99
2.02-2.050.24813680.18936994X-RAY DIFFRACTION100
2.05-2.10.23153700.1977036X-RAY DIFFRACTION99
2.1-2.140.24243700.19557024X-RAY DIFFRACTION100
2.14-2.190.24513700.19427037X-RAY DIFFRACTION100
2.19-2.250.24213710.19857037X-RAY DIFFRACTION100
2.25-2.310.21573710.19657053X-RAY DIFFRACTION100
2.31-2.370.23463710.19437063X-RAY DIFFRACTION100
2.37-2.450.22143740.19777093X-RAY DIFFRACTION100
2.45-2.540.2423700.20197035X-RAY DIFFRACTION100
2.54-2.640.22953730.19887080X-RAY DIFFRACTION100
2.64-2.760.23963730.20157098X-RAY DIFFRACTION99
2.76-2.910.23173710.1967036X-RAY DIFFRACTION99
2.91-3.090.23573730.2027093X-RAY DIFFRACTION99
3.09-3.330.22793740.1947120X-RAY DIFFRACTION99
3.33-3.660.18853740.18447103X-RAY DIFFRACTION99
3.66-4.190.21573730.18177091X-RAY DIFFRACTION98
4.19-5.280.19983700.17937052X-RAY DIFFRACTION97
5.28-45.350.25143720.22557028X-RAY DIFFRACTION93
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)
10.46290.0743-0.41210.4174-0.35021.32880.01360.05820.0441-0.04680.01570.0673-0.1132-0.2229-0.02030.08380.022-0.02690.10210.00640.108434.7575-19.991357.69
20.87910.4151-0.28790.5587-0.22030.4410.00360.06060.0911-0.06040.01060.0331-0.0654-0.0302-0.01430.1030.0137-0.02260.06430.00950.082349.9578-14.261751.1173
30.78720.50650.45481.7019-0.7641.3919-0.0172-0.06720.21040.11880.02580.3076-0.2779-0.3144-0.00810.12780.06150.01410.1360.00490.163227.2341-17.029672.8834
40.62850.5724-0.26361.2104-0.29360.611-0.0015-0.0784-0.09750.1076-0.0274-0.14780.01360.05680.02280.03820.028-0.03120.09010.01940.138967.667832.110711.5837
52.0150.7981-0.79280.7885-0.56260.8239-0.1254-0.0673-0.4002-0.1302-0.0535-0.29210.18150.11260.17860.1150.02750.00320.09740.01890.192761.74849.249316.2173
61.12730.0679-0.32770.82250.0820.69030.0078-0.0616-0.05150.0288-0.0273-0.08470.02990.06480.01990.07470.004-0.01070.0710.01780.069246.997316.551722.5102
71.05860.4045-0.95080.4114-0.66131.83940.0901-0.01210.17690.032-0.03090.0208-0.3073-0.0564-0.05620.10980.0196-0.01180.08250.00770.125953.108829.421516.1119
80.70420.53870.23510.7732-0.4141.071-0.02730.028-0.0963-0.03410.0007-0.08480.05380.05810.02130.06520.01380.00090.06210.01020.10164.701727.87446.069
90.6491-0.2733-0.5461.2859-0.70411.3739-0.0378-0.15670.0420.2155-0.0817-0.2903-0.11160.34230.08850.1025-0.0215-0.05420.15630.01780.15976.602240.793614.6976
100.71150.8606-0.10641.5279-0.39361.4887-0.0197-0.0413-0.08850.1087-0.0133-0.23320.03040.06810.0180.01120.0514-0.01420.09580.01340.123669.2681-28.688271.9766
113.16731.468-1.20661.5217-0.77350.9712-0.2001-0.1367-0.3853-0.1485-0.0464-0.28360.20680.14790.24480.12210.03490.01480.09780.02420.127964.0511-50.445977.8865
121.22470.2561-0.50150.5987-0.11310.9798-0.0072-0.05560.0230.0296-0.0049-0.0252-0.0224-0.00370.01190.06750.0094-0.01040.0566-0.00020.057350.5734-40.003982.0537
130.54240.346-0.13131.58410.15690.7235-0.0159-0.01370.0097-0.0069-0.0026-0.07150.01130.06150.01380.06490.0037-0.01720.08970.01830.081767.457-28.287470.0836
141.0634-0.3701-0.4611.4064-0.58911.5878-0.0531-0.23650.12220.2302-0.0228-0.3623-0.21650.35360.04830.1348-0.0434-0.06470.17320.0170.204780.1084-17.746273.9544
150.49760.3488-0.44250.5134-0.60090.9558-0.0170.09730.0466-0.03760.08280.0821-0.0114-0.1297-0.06470.07570.0054-0.0180.08630.01270.10137.944244.2667-10.6613
160.92340.4618-0.14770.794-0.14580.61950.0230.00510.06780.03640.0040.0162-0.0349-0.026-0.0260.06260.0096-0.01030.06260.00660.067553.892450.5246-8.6371
170.3603-0.0889-0.46361.0571-0.11050.8349-0.02450.0191-0.0183-0.00730.0240.06120.0317-0.05220.0030.0613-0.0082-0.01420.08510.02420.076537.656336.2049-0.6743
180.86580.53370.31291.4526-0.67521.4220.0227-0.07330.20540.21510.04480.2981-0.2615-0.2572-0.04830.12980.04510.04590.12850.0280.169726.000544.067612.5441
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 17 through 86 )
2X-RAY DIFFRACTION2chain 'A' and (resid 87 through 365 )
3X-RAY DIFFRACTION3chain 'A' and (resid 366 through 462 )
4X-RAY DIFFRACTION4chain 'B' and (resid 17 through 60 )
5X-RAY DIFFRACTION5chain 'B' and (resid 61 through 127 )
6X-RAY DIFFRACTION6chain 'B' and (resid 128 through 256 )
7X-RAY DIFFRACTION7chain 'B' and (resid 257 through 300 )
8X-RAY DIFFRACTION8chain 'B' and (resid 301 through 365 )
9X-RAY DIFFRACTION9chain 'B' and (resid 366 through 462 )
10X-RAY DIFFRACTION10chain 'C' and (resid 17 through 60 )
11X-RAY DIFFRACTION11chain 'C' and (resid 61 through 127 )
12X-RAY DIFFRACTION12chain 'C' and (resid 128 through 300 )
13X-RAY DIFFRACTION13chain 'C' and (resid 301 through 390 )
14X-RAY DIFFRACTION14chain 'C' and (resid 391 through 462 )
15X-RAY DIFFRACTION15chain 'D' and (resid 17 through 127 )
16X-RAY DIFFRACTION16chain 'D' and (resid 128 through 300 )
17X-RAY DIFFRACTION17chain 'D' and (resid 301 through 365 )
18X-RAY DIFFRACTION18chain 'D' and (resid 366 through 462 )

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