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- PDB-8po9: Polyethylene oxidation hexamerin PEase Cibeles (XP_026756460) fro... -

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Basic information

Entry
Database: PDB / ID: 8po9
TitlePolyethylene oxidation hexamerin PEase Cibeles (XP_026756460) from Galleria mellonella
ComponentsArylphorin
KeywordsOXIDOREDUCTASE / Polyethylene oxidation enzyme / PEase / XP_026756460 / Cibeles
Function / homology
Function and homology information


nutrient reservoir activity / extracellular region
Similarity search - Function
Arthropod hemocyanins / insect LSPs signature 1. / Arthropod hemocyanins / insect LSPs signature 2. / Hemocyanin, N-terminal / Hemocyanin, N-terminal domain superfamily / Hemocyanin, all-alpha domain / Hemocyanin, C-terminal domain superfamily / Hemocyanin/hexamerin middle domain / Hemocyanin, C-terminal / Hemocyanin, copper containing domain / Hemocyanin, ig-like domain ...Arthropod hemocyanins / insect LSPs signature 1. / Arthropod hemocyanins / insect LSPs signature 2. / Hemocyanin, N-terminal / Hemocyanin, N-terminal domain superfamily / Hemocyanin, all-alpha domain / Hemocyanin, C-terminal domain superfamily / Hemocyanin/hexamerin middle domain / Hemocyanin, C-terminal / Hemocyanin, copper containing domain / Hemocyanin, ig-like domain / Hemocyanin/hexamerin / Di-copper centre-containing domain superfamily / Immunoglobulin E-set
Similarity search - Domain/homology
COPPER (II) ION / GLYCINE / Arylphorin
Similarity search - Component
Biological speciesGalleria mellonella (greater wax moth)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å
AuthorsIllanes-Vicioso, R. / Ruiz-Lopez, E. / Sola, M. / Bertocchini, F. / Palomo, E.A.
Funding support Spain, 1items
OrganizationGrant numberCountry
Spanish Ministry of Science, Innovation, and UniversitiesPID2021-129038NB-I00 Spain
CitationJournal: Sci Adv / Year: 2023
Title: Plastic degradation by insect hexamerins: Near-atomic resolution structures of the polyethylene-degrading proteins from the wax worm saliva.
Authors: Mercedes Spínola-Amilibia / Ramiro Illanes-Vicioso / Elena Ruiz-López / Pere Colomer-Vidal / Francisco Rodriguez-Ventura / Rosa Peces Pérez / Clemente F Arias / Tomas Torroba / Maria ...Authors: Mercedes Spínola-Amilibia / Ramiro Illanes-Vicioso / Elena Ruiz-López / Pere Colomer-Vidal / Francisco Rodriguez-Ventura / Rosa Peces Pérez / Clemente F Arias / Tomas Torroba / Maria Solà / Ernesto Arias-Palomo / Federica Bertocchini /
Abstract: Plastic waste management is a pressing ecological, social, and economic challenge. The saliva of the lepidopteran larvae is capable of oxidizing and depolymerizing polyethylene in hours at room ...Plastic waste management is a pressing ecological, social, and economic challenge. The saliva of the lepidopteran larvae is capable of oxidizing and depolymerizing polyethylene in hours at room temperature. Here, we analyze by cryo-electron microscopy (cryo-EM) 's saliva directly from the native source. The three-dimensional reconstructions reveal that the buccal secretion is mainly composed of four hexamerins belonging to the hemocyanin/phenoloxidase family, renamed Demetra, Cibeles, Ceres, and a previously unidentified factor termed Cora. Functional assays show that this factor, as its counterparts Demetra and Ceres, is also able to oxidize and degrade polyethylene. The cryo-EM data and the x-ray analysis from purified fractions show that they self-assemble primarily into three macromolecular complexes with striking structural differences that likely modulate their activity. Overall, these results establish the ground to further explore the hexamerins' functionalities, their role in vivo, and their eventual biotechnological application.
History
DepositionJul 3, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 4, 2023Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Arylphorin
B: Arylphorin
C: Arylphorin
D: Arylphorin
E: Arylphorin
F: Arylphorin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)518,36180
Polymers502,6686
Non-polymers15,69374
Water28,6261589
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: electron microscopy
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)93.750, 196.580, 224.120
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 18 through 247 or resid 249...
d_2ens_1(chain "B" and (resid 18 through 247 or resid 249...
d_3ens_1(chain "C" and (resid 18 through 247 or resid 249 through 688))
d_4ens_1(chain "D" and (resid 18 through 247 or resid 249...
d_5ens_1(chain "E" and (resid 18 through 247 or resid 249...
d_6ens_1(chain "F" and (resid 18 through 247 or resid 249...

NCS domain segments:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11TYRTYRPHEPHEAA18 - 24718 - 247
d_12GLUGLUPROPROAA249 - 688249 - 688
d_21TYRTYRPHEPHEBB18 - 24718 - 247
d_22GLUGLUPROPROBB249 - 688249 - 688
d_31TYRTYRPHEPHECC18 - 24718 - 247
d_32GLUGLUPROPROCC249 - 688249 - 688
d_41TYRTYRPHEPHEDD18 - 24718 - 247
d_42GLUGLUPROPRODD249 - 688249 - 688
d_51TYRTYRPHEPHEEE18 - 24718 - 247
d_52GLUGLUPROPROEE249 - 688249 - 688
d_61TYRTYRPHEPHEFF18 - 24718 - 247
d_62GLUGLUPROPROFF249 - 688249 - 688

NCS oper:
IDCodeMatrixVector
1given(0.973854825974, -0.0534863940628, -0.220784926066), (0.166402503083, -0.493676950493, 0.853576754323), (-0.15465117166, -0.867999005876, -0.471869410856)-5.84941528985, 21.8752987017, -40.8619393593
2given(0.972387046178, 0.173811370698, -0.155733875058), (-0.0483417517433, -0.502825948209, -0.863034843356), (-0.228312302478, 0.846732350406, -0.480539092388)-3.98507050017, -24.9766593812, -39.6985945559
3given(-0.965271594841, -0.104310660587, 0.239520425601), (-0.0942159774354, -0.716139188011, -0.691569239477), (0.243668007314, -0.690118793747, 0.681441085296)31.1973286629, -19.3812013291, -12.5452683799
4given(-0.988948460364, 0.0944942827488, 0.114244357723), (0.0881508438385, -0.244805831645, 0.965556592605), (0.119207262675, 0.964956442188, 0.233770599531)27.9691292618, 26.081234138, -23.5191031916
5given(-0.993374851274, -0.114559865399, 0.00907976301275), (-0.113132313013, 0.96099367041, -0.252373225965), (0.0201862480127, -0.2517284304, -0.96758736697)25.0970763194, -5.89762444027, -57.2466147297

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Components

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein
Arylphorin / Lhp76


Mass: 83778.000 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Details: Asn 211 and Asn 481 contain glycosilations / Source: (natural) Galleria mellonella (greater wax moth) / References: UniProt: Q24995

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Sugars , 5 types, 12 molecules

#2: 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.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpa1-6[DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam 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
[]{[(4+1)][b-D-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
#3: 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.: 7
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#4: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#5: 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-(1-3)-[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: 1559.386 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-2DManpa1-3[DManpa1-3[DManpa1-6]DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam 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-g1_d2-e1_e2-f1_g3-h1_g6-i1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-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]{}[(6+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#6: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D- ...alpha-D-mannopyranose-(1-2)-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: 1072.964 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam 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-f1_d2-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-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]{}}}}}LINUCSPDB-CARE

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Non-polymers , 9 types, 1651 molecules

#7: Chemical
ChemComp-CU / COPPER (II) ION / Copper


Mass: 63.546 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cu
#8: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Mg
#9: Chemical...
ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 22 / Source method: obtained synthetically / Formula: Cl
#10: Chemical ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / MES (buffer)


Mass: 195.237 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#11: Chemical
ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL / 2-Methyl-2,4-pentanediol


Mass: 118.174 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C6H14O2 / Comment: precipitant*YM
#12: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C3H8O3
#13: Chemical
ChemComp-GLY / GLYCINE / Glycine


Type: peptide linking / Mass: 75.067 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C2H5NO2
#14: Chemical ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#15: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1589 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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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: 2.05 Å3/Da / Density % sol: 40.12 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 / Details: 35 % MPD, 100 mM Li2SO4, 100 mM MES pH 6

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Data collection

DiffractionMean temperature: 273 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 1.265 Å
DetectorType: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Jul 5, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.265 Å / Relative weight: 1
ReflectionResolution: 2.2→49.3 Å / Num. obs: 209645 / % possible obs: 99.9 % / Redundancy: 8.96 % / Biso Wilson estimate: 38.41 Å2 / CC1/2: 0.99 / Net I/σ(I): 7.21
Reflection shellResolution: 2.2→2.33 Å / Mean I/σ(I) obs: 1.32 / Num. unique obs: 32642 / CC1/2: 0.44

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Processing

Software
NameVersionClassification
PHENIX1.20_4459refinement
PHENIX1.20_4459refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→49.26 Å / SU ML: 0.282 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 22.6561
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2181 10621 5.07 %
Rwork0.1713 198891 -
obs0.1737 209512 99.86 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 45.91 Å2
Refinement stepCycle: LAST / Resolution: 2.2→49.26 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms34547 0 992 1589 37128
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.008736653
X-RAY DIFFRACTIONf_angle_d0.953349883
X-RAY DIFFRACTIONf_chiral_restr0.05595207
X-RAY DIFFRACTIONf_plane_restr0.00796292
X-RAY DIFFRACTIONf_dihedral_angle_d13.346113669
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.675303100195
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.743475576179
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.719593389377
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS0.643378829906
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS0.607976900366
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.2-2.220.38643370.31526379X-RAY DIFFRACTION96.8
2.22-2.250.34463470.28256541X-RAY DIFFRACTION100
2.25-2.280.30373290.27026618X-RAY DIFFRACTION99.99
2.28-2.310.29933730.24596503X-RAY DIFFRACTION100
2.31-2.340.27793680.246632X-RAY DIFFRACTION100
2.34-2.370.29073360.24146551X-RAY DIFFRACTION99.99
2.37-2.40.29213330.23746638X-RAY DIFFRACTION99.99
2.4-2.440.28133530.22736514X-RAY DIFFRACTION100
2.44-2.480.28843490.22596636X-RAY DIFFRACTION100
2.48-2.520.25963570.21216568X-RAY DIFFRACTION100
2.52-2.560.26493450.19336615X-RAY DIFFRACTION100
2.56-2.610.25093620.19746598X-RAY DIFFRACTION99.99
2.61-2.660.26043580.26572X-RAY DIFFRACTION100
2.66-2.710.26233590.1996553X-RAY DIFFRACTION100
2.71-2.770.2513380.18876673X-RAY DIFFRACTION100
2.77-2.840.24263760.17756578X-RAY DIFFRACTION99.99
2.84-2.910.25883730.18126561X-RAY DIFFRACTION100
2.91-2.990.24023570.17976647X-RAY DIFFRACTION99.99
2.99-3.070.22943570.16996592X-RAY DIFFRACTION99.99
3.07-3.170.24593400.16466636X-RAY DIFFRACTION99.97
3.17-3.290.20113580.15486631X-RAY DIFFRACTION100
3.29-3.420.20843170.15236673X-RAY DIFFRACTION100
3.42-3.570.19843510.15026687X-RAY DIFFRACTION100
3.57-3.760.17843560.13836665X-RAY DIFFRACTION100
3.76-40.17413470.13156666X-RAY DIFFRACTION99.97
4-4.310.17593560.13066697X-RAY DIFFRACTION100
4.31-4.740.17153710.1336704X-RAY DIFFRACTION99.97
4.74-5.420.17443780.14536731X-RAY DIFFRACTION99.97
5.42-6.830.20993690.18236800X-RAY DIFFRACTION99.99
6.83-49.260.20833710.17937032X-RAY DIFFRACTION99.32
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)
10.4473364659040.0699439774637-0.0153251185210.642588518005-0.1678040705320.535713020365-0.01055624162530.07083134475420.0156234111922-0.09151610011140.004078356382520.04425841102640.00894656980513-0.08040910051916.97513086867E-50.3258527632580.00220226383823-0.04580950735210.3696499533530.02716428668140.327900166359-11.048-3.797-59.144
20.523451326862-0.151741848479-0.1641953187850.6790275226210.04672282829690.606029166287-0.00729940221506-0.0855218085434-0.027422852570.04380077536260.01712598808640.02570355773330.0651819843285-0.0800236699266-3.04914701733E-50.278826413614-0.01193191965110.004170960548650.3667742007760.01496888562850.294757162044-3.839-28.763-8.019
30.5240259174930.0006451688074410.3089234929010.4830368134780.005013481229670.900829130598-0.0457800444004-0.0638740005730.1749632373710.07542371403620.006539154161590.0832209595624-0.300865416869-0.120224286529-0.00077660606420.4810328211630.0948579951535-0.005419903294430.354976953097-0.04793747466690.438555784589-6.23828.417-12.057
40.607392360628-0.008218822419940.4018375313230.608250526544-0.1899590725880.883060581451-0.0807652997410.1003235705010.1596061455530.00825752134977-0.0208887536405-0.092909051841-0.1570132301490.0681517015034-0.005469887241950.365364811345-0.0461415520595-0.0151306620560.3398245641550.07061002819390.43261615896328.19525.267-52.917
50.4398391916230.0678977360826-0.177992101750.853851899855-0.2664280775190.703376279364-0.01547200621090.0245794205297-0.0331671815842-0.131553893433-0.0237815674686-0.1047937351090.1382626630540.105996604315-3.52862765875E-50.3202085041120.04767079176370.03133659946120.3647602342290.009062247583020.34116102700732.189-30.93-42.296
60.618918671116-0.226561287034-0.01455021475970.9191839823110.0278408330370.629548497016-0.010095616109-0.1639077048040.06985930272780.158591773098-0.0255691147955-0.141137842702-0.141217820670.130432751835-0.0001167619145430.361428581507-0.0588274933393-0.08521924037470.407341600831-0.006775307754950.38046769979835.9796.6580.722
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1{ A|17-695 }
2X-RAY DIFFRACTION1{ A|901-902 }
3X-RAY DIFFRACTION1{ A|1090-1135 }
4X-RAY DIFFRACTION2{ B|18-689 }
5X-RAY DIFFRACTION2{ B|901-902 }
6X-RAY DIFFRACTION2{ B|1059-1187 }
7X-RAY DIFFRACTION3{ C|18-695 }
8X-RAY DIFFRACTION3{ C|901-902 }
9X-RAY DIFFRACTION3{ C|1054-1100 }
10X-RAY DIFFRACTION4{ D|18-694 }
11X-RAY DIFFRACTION4{ D|901-901 }
12X-RAY DIFFRACTION4{ D|1069-1128 }
13X-RAY DIFFRACTION5{ E|18-688 }
14X-RAY DIFFRACTION5{ E|901-902 }
15X-RAY DIFFRACTION5{ E|1107-1145 }
16X-RAY DIFFRACTION6{ F|18-695 }
17X-RAY DIFFRACTION6{ F|901-902 }
18X-RAY DIFFRACTION6{ F|1017-1126 }

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