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- PDB-9gcx: Crystal structure of bovine Cytochrome bc1 in complex with inhibi... -

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Basic information

Entry
Database: PDB / ID: 9gcx
TitleCrystal structure of bovine Cytochrome bc1 in complex with inhibitor F8
Components
  • (Cytochrome b-c1 complex subunit ...) x 8
  • Cytochrome b
  • Cytochrome c1, heme protein, mitochondrial
KeywordsELECTRON TRANSPORT / mitochondrial electron transport chain / antimalarial
Function / homology
Function and homology information


Complex III assembly / Respiratory electron transport / respiratory chain complex III / quinol-cytochrome-c reductase / quinol-cytochrome-c reductase activity / mitochondrial electron transport, ubiquinol to cytochrome c / Mitochondrial protein degradation / ubiquinone binding / respiratory electron transport chain / mitochondrial membrane ...Complex III assembly / Respiratory electron transport / respiratory chain complex III / quinol-cytochrome-c reductase / quinol-cytochrome-c reductase activity / mitochondrial electron transport, ubiquinol to cytochrome c / Mitochondrial protein degradation / ubiquinone binding / respiratory electron transport chain / mitochondrial membrane / metalloendopeptidase activity / 2 iron, 2 sulfur cluster binding / mitochondrial inner membrane / oxidoreductase activity / heme binding / mitochondrion / proteolysis / metal ion binding / membrane
Similarity search - Function
Cytochrome b-c1 complex subunit 10 / Single alpha-helix domain superfamily / Ubiquinol-cytochrome C reductase complex, 6.4kD protein / Ubiquinol-cytochrome c reductase 8kDa, N-terminal / Ubiquinol-cytochrome c reductase 8 kDa, N-terminal / Globular protein, non-globular alpha/beta subunit / Cytochrome b-c1 complex, subunit 6 / Cytochrome b-c1 complex subunit 8 / UcrQ family / Cytochrome bc1 complex subunit Rieske, transmembrane domain superfamily ...Cytochrome b-c1 complex subunit 10 / Single alpha-helix domain superfamily / Ubiquinol-cytochrome C reductase complex, 6.4kD protein / Ubiquinol-cytochrome c reductase 8kDa, N-terminal / Ubiquinol-cytochrome c reductase 8 kDa, N-terminal / Globular protein, non-globular alpha/beta subunit / Cytochrome b-c1 complex, subunit 6 / Cytochrome b-c1 complex subunit 8 / UcrQ family / Cytochrome bc1 complex subunit Rieske, transmembrane domain superfamily / Cytochrome b-c1 complex subunit 7 / Cytochrome b-c1 complex subunit 7 superfamily / Ubiquinol-cytochrome C reductase complex 14kD subunit / Cytochrome b-c1 complex subunit 8 superfamily / Cytochrome b-c1 complex subunit Rieske, transmembrane domain / Ubiquinol cytochrome reductase transmembrane region / Ubiquinol-cytochrome C reductase hinge domain / Ubiquinol-cytochrome C reductase hinge domain superfamily / Ubiquinol-cytochrome C reductase hinge protein / Cytochrome b-c1 complex subunit 9 / Cytochrome b-c1 complex subunit 9 superfamily / Ubiquinol-cytochrome C reductase, UQCRX/QCR9 like / Cytochrome c1, transmembrane anchor, C-terminal / : / Cytochrome b / Ubiquinol-cytochrome c reductase, iron-sulphur subunit / : / Cytochrome c1 / Cytochrome C1 family / : / Cytochrome b/b6, C-terminal / Cytochrome b(C-terminal)/b6/petD / Cytochrome b/b6 C-terminal region profile. / Peptidase M16, zinc-binding site / Insulinase family, zinc-binding region signature. / Cytochrome b/b6, C-terminal domain superfamily / Cytochrome b/b6/petB / Rieske iron-sulphur protein, C-terminal / Cytochrome b/b6, N-terminal / Cytochrome b/b6-like domain superfamily / Cytochrome b/b6 N-terminal region profile. / Di-haem cytochrome, transmembrane / Rieske iron-sulphur protein / Peptidase M16, C-terminal / Peptidase M16 inactive domain / Peptidase M16, N-terminal / Insulinase (Peptidase family M16) / Metalloenzyme, LuxS/M16 peptidase-like / Rieske [2Fe-2S] domain / Rieske [2Fe-2S] iron-sulphur domain / Rieske [2Fe-2S] iron-sulfur domain profile. / Rieske [2Fe-2S] iron-sulphur domain superfamily / Cytochrome c family profile. / Cytochrome c-like domain / Cytochrome c-like domain superfamily
Similarity search - Domain/homology
: / CARDIOLIPIN / FE2/S2 (INORGANIC) CLUSTER / HEME C / PROTOPORPHYRIN IX CONTAINING FE / Chem-LOP / Chem-PSC / Cytochrome b-c1 complex subunit 6, mitochondrial / Cytochrome c1, heme protein, mitochondrial / Cytochrome b-c1 complex subunit 7 ...: / CARDIOLIPIN / FE2/S2 (INORGANIC) CLUSTER / HEME C / PROTOPORPHYRIN IX CONTAINING FE / Chem-LOP / Chem-PSC / Cytochrome b-c1 complex subunit 6, mitochondrial / Cytochrome c1, heme protein, mitochondrial / Cytochrome b-c1 complex subunit 7 / Cytochrome b-c1 complex subunit 9 / Cytochrome b / Cytochrome b-c1 complex subunit 10 / Cytochrome b-c1 complex subunit 8 / Cytochrome b-c1 complex subunit Rieske, mitochondrial / Cytochrome b-c1 complex subunit 2, mitochondrial / Cytochrome b-c1 complex subunit 1, mitochondrial
Similarity search - Component
Biological speciesBos taurus (domestic cattle)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.522 Å
AuthorsPinthong, N. / Hong, W. / ONeill, P.W. / Antonyuk, S.V.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Eur.J.Med.Chem. / Year: 2024
Title: Novel antimalarial 3-substituted quinolones isosteres with improved pharmacokinetic properties.
Authors: Ge, S. / Jian, R. / Xuan, Q. / Zhu, Y. / Ren, X. / Li, W. / Chen, X. / Huang, R.K. / Lee, C.S. / Leung, S.C. / Basilico, N. / Parapini, S. / Taramelli, D. / Pinthong, N. / Antonyuk, S.V. / ...Authors: Ge, S. / Jian, R. / Xuan, Q. / Zhu, Y. / Ren, X. / Li, W. / Chen, X. / Huang, R.K. / Lee, C.S. / Leung, S.C. / Basilico, N. / Parapini, S. / Taramelli, D. / Pinthong, N. / Antonyuk, S.V. / O'Neill, P.M. / Sheng, Z. / Hong, W.D.
History
DepositionAug 3, 2024Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jan 22, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Cytochrome b-c1 complex subunit 1, mitochondrial
B: Cytochrome b-c1 complex subunit 2, mitochondrial
C: Cytochrome b
D: Cytochrome c1, heme protein, mitochondrial
E: Cytochrome b-c1 complex subunit Rieske, mitochondrial
F: Cytochrome b-c1 complex subunit 7
G: Cytochrome b-c1 complex subunit 8
H: Cytochrome b-c1 complex subunit 6, mitochondrial
I: Cytochrome b-c1 complex subunit Rieske, mitochondrial
J: Cytochrome b-c1 complex subunit 9
K: Cytochrome b-c1 complex subunit 10
hetero molecules


Theoretical massNumber of molelcules
Total (without water)300,08630
Polymers287,72011
Non-polymers12,36619
Water18010
1
A: Cytochrome b-c1 complex subunit 1, mitochondrial
B: Cytochrome b-c1 complex subunit 2, mitochondrial
C: Cytochrome b
D: Cytochrome c1, heme protein, mitochondrial
E: Cytochrome b-c1 complex subunit Rieske, mitochondrial
F: Cytochrome b-c1 complex subunit 7
G: Cytochrome b-c1 complex subunit 8
H: Cytochrome b-c1 complex subunit 6, mitochondrial
I: Cytochrome b-c1 complex subunit Rieske, mitochondrial
J: Cytochrome b-c1 complex subunit 9
K: Cytochrome b-c1 complex subunit 10
hetero molecules

A: Cytochrome b-c1 complex subunit 1, mitochondrial
B: Cytochrome b-c1 complex subunit 2, mitochondrial
C: Cytochrome b
D: Cytochrome c1, heme protein, mitochondrial
E: Cytochrome b-c1 complex subunit Rieske, mitochondrial
F: Cytochrome b-c1 complex subunit 7
G: Cytochrome b-c1 complex subunit 8
H: Cytochrome b-c1 complex subunit 6, mitochondrial
I: Cytochrome b-c1 complex subunit Rieske, mitochondrial
J: Cytochrome b-c1 complex subunit 9
K: Cytochrome b-c1 complex subunit 10
hetero molecules


Theoretical massNumber of molelcules
Total (without water)600,17260
Polymers575,44022
Non-polymers24,73238
Water18010
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation10_445-y-1,-x-1,-z+1/61
Buried area108810 Å2
ΔGint-775 kcal/mol
Surface area154370 Å2
MethodPISA
Unit cell
Length a, b, c (Å)210.082, 210.082, 344.844
Angle α, β, γ (deg.)90, 90, 120
Int Tables number179
Space group name H-MP6522

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Components

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Cytochrome b-c1 complex subunit ... , 8 types, 9 molecules ABEIFGHJK

#1: Protein Cytochrome b-c1 complex subunit 1, mitochondrial / Complex III subunit 1 / Core protein I / Ubiquinol-cytochrome-c reductase complex core protein 1


Mass: 52796.410 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P31800
#2: Protein Cytochrome b-c1 complex subunit 2, mitochondrial / Complex III subunit 2 / Core protein II / Ubiquinol-cytochrome-c reductase complex core protein 2


Mass: 48203.434 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P23004
#5: Protein Cytochrome b-c1 complex subunit Rieske, mitochondrial / Complex III subunit 5 / Cytochrome b-c1 complex subunit 5 / Rieske iron-sulfur protein / RISP / ...Complex III subunit 5 / Cytochrome b-c1 complex subunit 5 / Rieske iron-sulfur protein / RISP / Rieske protein UQCRFS1 / Ubiquinol-cytochrome c reductase iron-sulfur subunit


Mass: 29586.842 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P13272, quinol-cytochrome-c reductase
#6: Protein Cytochrome b-c1 complex subunit 7 / Complex III subunit 7 / Complex III subunit VII / QP-C / Ubiquinol-cytochrome c reductase complex ...Complex III subunit 7 / Complex III subunit VII / QP-C / Ubiquinol-cytochrome c reductase complex 14 kDa protein


Mass: 13501.401 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P00129
#7: Protein Cytochrome b-c1 complex subunit 8 / Complex III subunit 8 / Complex III subunit VIII / Ubiquinol-cytochrome c reductase complex 9.5 kDa ...Complex III subunit 8 / Complex III subunit VIII / Ubiquinol-cytochrome c reductase complex 9.5 kDa protein / Ubiquinol-cytochrome c reductase complex ubiquinone-binding protein QP-C


Mass: 9737.223 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P13271
#8: Protein Cytochrome b-c1 complex subunit 6, mitochondrial / Complex III subunit 6 / Complex III subunit VIII / Cytochrome c1 non-heme 11 kDa protein / ...Complex III subunit 6 / Complex III subunit VIII / Cytochrome c1 non-heme 11 kDa protein / Mitochondrial hinge protein / Ubiquinol-cytochrome c reductase complex 11 kDa protein


Mass: 12346.647 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: A0A452DIC1
#9: Protein Cytochrome b-c1 complex subunit 9 / Complex III subunit 9 / Complex III subunit X / Cytochrome c1 non-heme 7 kDa protein / Ubiquinol- ...Complex III subunit 9 / Complex III subunit X / Cytochrome c1 non-heme 7 kDa protein / Ubiquinol-cytochrome c reductase complex 7.2 kDa protein


Mass: 7469.621 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P00130
#10: Protein Cytochrome b-c1 complex subunit 10 / Complex III subunit 10 / Complex III subunit XI / Ubiquinol-cytochrome c reductase complex 6.4 kDa protein


Mass: 6527.604 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P07552

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Protein , 2 types, 2 molecules CD

#3: Protein Cytochrome b / Complex III subunit 3 / Complex III subunit III / Cytochrome b-c1 complex subunit 3 / Ubiquinol- ...Complex III subunit 3 / Complex III subunit III / Cytochrome b-c1 complex subunit 3 / Ubiquinol-cytochrome-c reductase complex cytochrome b subunit


Mass: 42620.340 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P00157
#4: Protein Cytochrome c1, heme protein, mitochondrial / Complex III subunit 4 / Complex III subunit IV / Cytochrome b-c1 complex subunit 4 / Ubiquinol- ...Complex III subunit 4 / Complex III subunit IV / Cytochrome b-c1 complex subunit 4 / Ubiquinol-cytochrome-c reductase complex cytochrome c1 subunit / Cytochrome c-1


Mass: 35343.770 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / References: UniProt: P00125

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Sugars , 1 types, 1 molecules

#15: Sugar ChemComp-LMT / DODECYL-BETA-D-MALTOSIDE


Type: D-saccharide / Mass: 510.615 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: C24H46O11 / Source: (natural) Bos taurus (domestic cattle) / Comment: detergent*YM

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Non-polymers , 9 types, 28 molecules

#11: Chemical
ChemComp-LOP / (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE / LAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE


Mass: 661.890 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Formula: C35H68NO8P / Source: (natural) Bos taurus (domestic cattle) / Comment: phospholipid*YM
#12: Chemical ChemComp-CDL / CARDIOLIPIN / DIPHOSPHATIDYL GLYCEROL / BIS-(1,2-DIACYL-SN-GLYCERO-3-PHOSPHO)-1',3'-SN-GLYCEROL


Mass: 1464.043 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: C81H156O17P2 / Source: (natural) Bos taurus (domestic cattle) / Comment: phospholipid*YM
#13: Chemical ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME


Mass: 616.487 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C34H32FeN4O4 / Source: (natural) Bos taurus (domestic cattle)
#14: Chemical ChemComp-A1IKG / 2-methyl-3-(4-(4-(trifluoromethoxy)phenoxy)phenyl)-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridin-4-one / 2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-3,5,7,8-tetrahydropyrano[4,3-b]pyridin-4-one


Mass: 417.378 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: C22H18F3NO4 / Source: (natural) Bos taurus (domestic cattle)
#16: Chemical ChemComp-HEC / HEME C


Mass: 618.503 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: C34H34FeN4O4 / Source: (natural) Bos taurus (domestic cattle)
#17: Chemical ChemComp-FES / FE2/S2 (INORGANIC) CLUSTER


Mass: 175.820 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Fe2S2
#18: Chemical ChemComp-PSC / (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE / PHOSPHATIDYLCHOLINE / 2-LINOLEOYL-1-PALMITOYL-SN-GYCEROL-3-PHOSPHOCHOLINE


Mass: 759.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C42H81NO8P / Comment: phospholipid*YM
#19: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: SO4
#20: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 10 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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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: 4.83 Å3/Da / Density % sol: 74.52 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.8
Details: 50 mM KPi pH 6.8, 100 mM NaCl, 3 mM NaN3, 10-20% PEG4000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.97856 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 12, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97856 Å / Relative weight: 1
ReflectionResolution: 3.52→49.65 Å / Num. obs: 55657 / % possible obs: 99.6 % / Redundancy: 10.3 % / CC1/2: 0.99 / Rmerge(I) obs: 0.15 / Rpim(I) all: 0.05 / Net I/σ(I): 13.5
Reflection shellResolution: 3.54→3.62 Å / Mean I/σ(I) obs: 1.6 / Num. unique obs: 3699 / CC1/2: 0.54 / Rpim(I) all: 0.51 / % possible all: 96.5

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Processing

Software
NameVersionClassification
REFMAC5.8.0425refinement
MOSFLMdata reduction
Aimlessdata scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.522→30 Å / Cor.coef. Fo:Fc: 0.916 / Cor.coef. Fo:Fc free: 0.873 / SU B: 57.112 / SU ML: 0.373 / Cross valid method: FREE R-VALUE / ESU R Free: 0.487 / Details: Hydrogens have not been used
RfactorNum. reflection% reflection
Rfree0.2407 2830 5.085 %
Rwork0.1877 52827 -
all0.19 --
obs-55657 99.106 %
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT
Displacement parametersBiso mean: 124.215 Å2
Baniso -1Baniso -2Baniso -3
1--0.316 Å2-0.158 Å2-0 Å2
2---0.316 Å20 Å2
3---1.026 Å2
Refinement stepCycle: LAST / Resolution: 3.522→30 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15866 0 813 10 16689
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0070.01217108
X-RAY DIFFRACTIONr_angle_refined_deg2.0811.84123149
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.552019
X-RAY DIFFRACTIONr_dihedral_angle_2_deg16.9245.137146
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.96102646
X-RAY DIFFRACTIONr_dihedral_angle_6_deg14.32710723
X-RAY DIFFRACTIONr_chiral_restr0.1330.22503
X-RAY DIFFRACTIONr_gen_planes_refined0.0070.0212746
X-RAY DIFFRACTIONr_nbd_refined0.2370.27870
X-RAY DIFFRACTIONr_nbtor_refined0.3180.211457
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1540.2431
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.2350.2196
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.3830.213
X-RAY DIFFRACTIONr_mcbond_it7.7588.4028103
X-RAY DIFFRACTIONr_mcangle_it11.9815.09510107
X-RAY DIFFRACTIONr_scbond_it10.548.869005
X-RAY DIFFRACTIONr_scangle_it15.64116.12613038
X-RAY DIFFRACTIONr_lrange_it19.372105.29670944
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.522-3.6140.3482000.3043699X-RAY DIFFRACTION95.94
3.614-3.7120.3331910.2693753X-RAY DIFFRACTION99.7723
3.712-3.8190.3151860.2453663X-RAY DIFFRACTION99.8444
3.819-3.9360.2762130.2193506X-RAY DIFFRACTION99.7318
3.936-4.0640.2791570.213484X-RAY DIFFRACTION99.7534
4.064-4.2060.221770.1923346X-RAY DIFFRACTION99.6324
4.206-4.3630.2241870.1643194X-RAY DIFFRACTION99.529
4.363-4.540.21770.1513082X-RAY DIFFRACTION99.4811
4.54-4.740.1831670.1392973X-RAY DIFFRACTION99.6193
4.74-4.9690.2021650.1322860X-RAY DIFFRACTION99.5721
4.969-5.2350.2141390.1442740X-RAY DIFFRACTION99.3444
5.235-5.5490.2451260.1652593X-RAY DIFFRACTION99.5242
5.549-5.9260.2391210.172444X-RAY DIFFRACTION99.3416
5.926-6.3940.2391190.1942310X-RAY DIFFRACTION99.1833
6.394-6.9920.221180.1822108X-RAY DIFFRACTION99.2864
6.992-7.7980.2131000.1551920X-RAY DIFFRACTION98.9226
7.798-8.9680.174920.1371720X-RAY DIFFRACTION98.5318
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)
11.3385-0.0545-0.00441.9794-0.25821.9757-0.00920.28630.4624-0.1479-0.0103-0.1803-0.17320.1180.01940.043-0.0565-0.03460.21140.24480.3222-92.3606-31.38487.3632
21.5475-0.5076-0.49971.4331-0.0840.97360.00730.36440.2777-0.1829-0.01960.2896-0.2129-0.20110.01230.1158-0.0343-0.14410.2610.21220.3119-122.704-40.53187.2422
31.4003-0.7085-0.2251.33430.16360.9953-0.1299-0.18160.01170.31810.085-0.31280.07910.35080.04490.10880.0695-0.08580.26060.04060.2068-56.7333-71.01342.5753
41.8556-0.22470.68820.468-0.09520.6174-0.2418-0.05740.17520.17120.1548-0.50020.05470.41940.0870.21420.2077-0.11470.7766-0.05020.6726-28.021-73.733730.5396
51.395-1.5767-0.51362.90720.91720.8775-0.12250.3599-0.3694-0.1830.13660.02420.34540.3367-0.01420.38140.0070.1080.7444-0.03150.5736-43.381-84.30142.8424
63.27241.6611-1.24893.1743-2.13223.08730.0564-0.44820.49550.47660.0716-0.02790.0150.2471-0.1280.22490.0974-0.07050.1492-0.10410.1742-80.8198-46.193352.1757
72.8897-1.82541.9231.7393-1.39881.6179-0.2890.00810.62880.2738-0.0763-0.5854-0.07990.30330.36520.2671-0.0046-0.14840.4109-0.02550.3388-56.736-49.214242.7513
81.64370.4912-0.2970.248-0.66784.63160.0951-0.01130.13470.1661-0.1476-0.0801-0.14490.7940.05250.59080.0498-0.22310.8886-0.08920.9833-11.229-62.859251.4948
92.21352.01453.05847.11065.08055.3957-0.2984-0.28080.1269-0.32290.534-0.2863-0.60430.064-0.23560.4644-0.12590.09310.53850.01030.5227-112.4797-35.627914.5321
103.2324-1.1728-0.14021.17780.28790.58310.220.90950.4475-0.3124-0.2262-0.4582-0.10040.44620.00620.1429-0.00950.12980.68820.19260.4715-43.5908-57.26928.1652
115.10014.181-0.26823.67370.13031.2038-0.59880.4914-0.5028-0.3010.2175-0.248-0.41540.15130.38131.1578-0.00240.12241.0436-0.06530.7426-58.8381-63.6484-2.9127
Refinement TLS groupSelection: ALL

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