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- PDB-6uvf: Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'... -

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Basic information

Entry
Database: PDB / ID: 6uvf
TitleCrystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
ComponentsBcl-2-like protein 1
KeywordsApoptosis/INHIBITOR / Apoptosis / BCL-2 family / BCL-XL / inhibitor / Apoptosis-INHIBITOR complex
Function / homology
Function and homology information


apoptotic process in bone marrow cell / The NLRP1 inflammasome / dendritic cell apoptotic process / SARS-CoV-1-mediated effects on programmed cell death / dendritic cell proliferation / positive regulation of mononuclear cell proliferation / BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members / negative regulation of dendritic cell apoptotic process / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage / negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway ...apoptotic process in bone marrow cell / The NLRP1 inflammasome / dendritic cell apoptotic process / SARS-CoV-1-mediated effects on programmed cell death / dendritic cell proliferation / positive regulation of mononuclear cell proliferation / BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members / negative regulation of dendritic cell apoptotic process / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage / negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway / negative regulation of execution phase of apoptosis / fertilization / regulation of growth / regulation of mitochondrial membrane permeability / Bcl-2 family protein complex / NFE2L2 regulating tumorigenic genes / apoptotic mitochondrial changes / response to cycloheximide / STAT5 activation downstream of FLT3 ITD mutants / cellular response to alkaloid / hepatocyte apoptotic process / negative regulation of release of cytochrome c from mitochondria / negative regulation of reproductive process / negative regulation of developmental process / negative regulation of intrinsic apoptotic signaling pathway / germ cell development / BH3 domain binding / negative regulation of anoikis / negative regulation of extrinsic apoptotic signaling pathway in absence of ligand / ectopic germ cell programmed cell death / negative regulation of protein localization to plasma membrane / negative regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / ovarian follicle development / extrinsic apoptotic signaling pathway in absence of ligand / response to cytokine / negative regulation of autophagy / release of cytochrome c from mitochondria / regulation of mitochondrial membrane potential / regulation of cytokinesis / epithelial cell proliferation / cellular response to amino acid stimulus / cellular response to gamma radiation / synaptic vesicle membrane / endocytosis / intrinsic apoptotic signaling pathway in response to DNA damage / male gonad development / RAS processing / channel activity / Interleukin-4 and Interleukin-13 signaling / neuron apoptotic process / spermatogenesis / nuclear membrane / defense response to virus / negative regulation of neuron apoptotic process / in utero embryonic development / mitochondrial outer membrane / mitochondrial inner membrane / mitochondrial matrix / positive regulation of apoptotic process / centrosome / negative regulation of apoptotic process / protein kinase binding / endoplasmic reticulum / mitochondrion / identical protein binding / cytosol / cytoplasm
Similarity search - Function
Apoptosis regulator, Bcl-X / Apoptosis regulator, Bcl-2/ BclX / Apoptosis regulator, Bcl-2, BH4 motif, conserved site / Apoptosis regulator, Bcl-2 family BH4 motif signature. / Apoptosis regulator, Bcl-2 protein, BH4 / Bcl-2 homology region 4 / Apoptosis regulator, Bcl-2 family BH4 motif profile. / BH4 Bcl-2 homology region 4 / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. ...Apoptosis regulator, Bcl-X / Apoptosis regulator, Bcl-2/ BclX / Apoptosis regulator, Bcl-2, BH4 motif, conserved site / Apoptosis regulator, Bcl-2 family BH4 motif signature. / Apoptosis regulator, Bcl-2 protein, BH4 / Bcl-2 homology region 4 / Apoptosis regulator, Bcl-2 family BH4 motif profile. / BH4 Bcl-2 homology region 4 / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. / Apoptosis regulator, Bcl-2, BH1 motif, conserved site / Apoptosis regulator, Bcl-2 family BH1 motif signature. / Apoptosis regulator, Bcl-2, BH2 motif, conserved site / Apoptosis regulator, Bcl-2 family BH2 motif signature. / Bcl-2 family / BCL (B-Cell lymphoma); contains BH1, BH2 regions / Bcl2-like / Bcl-2, Bcl-2 homology region 1-3 / Apoptosis regulator proteins, Bcl-2 family / BCL2-like apoptosis inhibitors family profile. / Bcl-2-like superfamily
Similarity search - Domain/homology
Chem-QHS / Bcl-2-like protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.24 Å
AuthorsRoy, M.J. / Lessene, G. / Czabotar, P.E.
Funding support Australia, 1items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia) Australia
CitationJournal: J.Med.Chem. / Year: 2021
Title: Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
Authors: Roy, M.J. / Vom, A. / Okamoto, T. / Smith, B.J. / Birkinshaw, R.W. / Yang, H. / Abdo, H. / White, C.A. / Segal, D. / Huang, D.C.S. / Baell, J.B. / Colman, P.M. / Czabotar, P.E. / Lessene, G.
History
DepositionNov 2, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 5, 2021Provider: repository / Type: Initial release
Revision 1.1May 12, 2021Group: Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2May 26, 2021Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Oct 11, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Bcl-2-like protein 1
B: Bcl-2-like protein 1
C: Bcl-2-like protein 1
D: Bcl-2-like protein 1
E: Bcl-2-like protein 1
F: Bcl-2-like protein 1
G: Bcl-2-like protein 1
H: Bcl-2-like protein 1
I: Bcl-2-like protein 1
J: Bcl-2-like protein 1
K: Bcl-2-like protein 1
L: Bcl-2-like protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)224,48453
Polymers215,01612
Non-polymers9,46841
Water3,333185
1
A: Bcl-2-like protein 1
B: Bcl-2-like protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)37,59411
Polymers35,8362
Non-polymers1,7589
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5610 Å2
ΔGint-79 kcal/mol
Surface area14670 Å2
MethodPISA
2
C: Bcl-2-like protein 1
D: Bcl-2-like protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)37,75213
Polymers35,8362
Non-polymers1,91611
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5820 Å2
ΔGint-123 kcal/mol
Surface area14170 Å2
MethodPISA
3
E: Bcl-2-like protein 1
F: Bcl-2-like protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)37,3748
Polymers35,8362
Non-polymers1,5386
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5080 Å2
ΔGint-91 kcal/mol
Surface area13570 Å2
MethodPISA
4
G: Bcl-2-like protein 1
H: Bcl-2-like protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)37,2447
Polymers35,8362
Non-polymers1,4085
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5130 Å2
ΔGint-62 kcal/mol
Surface area13620 Å2
MethodPISA
5
I: Bcl-2-like protein 1
J: Bcl-2-like protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)37,3408
Polymers35,8362
Non-polymers1,5046
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4640 Å2
ΔGint-45 kcal/mol
Surface area13990 Å2
MethodPISA
6
K: Bcl-2-like protein 1
L: Bcl-2-like protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)37,1816
Polymers35,8362
Non-polymers1,3464
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4380 Å2
ΔGint-43 kcal/mol
Surface area14260 Å2
MethodPISA
Unit cell
Length a, b, c (Å)92.386, 104.650, 110.076
Angle α, β, γ (deg.)90.000, 110.990, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Bcl-2-like protein 1 / Bcl2-L-1 / Apoptosis regulator Bcl-X


Mass: 17917.959 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BCL2L1, BCL2L, BCLX / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q07817
#2: Chemical...
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 22 / Source method: obtained synthetically / Formula: SO4
#3: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C2H6O2
#4: Chemical
ChemComp-QHS / (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid


Mass: 576.703 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C32H36N2O6S / Feature type: SUBJECT OF INVESTIGATION
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 185 / Source method: isolated from a natural source / Formula: H2O
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: 2.31 Å3/Da / Density % sol: 46.77 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: 1.4 M ammonium sulfate, 0.1 M MES pH 6.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 14, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.24→47.52 Å / Num. obs: 93096 / % possible obs: 99.4 % / Redundancy: 7.517 % / Biso Wilson estimate: 54.9 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.069 / Rrim(I) all: 0.074 / Χ2: 1.012 / Net I/σ(I): 18.2 / Num. measured all: 699798
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsCC1/2Rrim(I) all% possible all
2.24-2.387.430.9571.9910883215054146470.8021.02997.3
2.38-2.547.6150.6083.2510766414150141390.8980.65399.9
2.54-2.757.6290.3675.4310060013203131860.960.39499.9
2.75-3.017.6320.18110.739223512094120850.9890.19499.9
3.01-3.367.6120.09219.928382711021110120.9970.09999.9
3.36-3.887.5250.05332.8873404976897550.9990.05799.9
3.88-4.747.3540.0444.160452823182200.9990.04399.9
4.74-6.677.2710.03548.6146728643764270.9990.03899.8
6.67-47.527.1880.02855.9226056367336250.9990.0398.7

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassificationNB
XDSdata reduction
XSCALEdata scaling
PHASERphasing
BUSTERrefinement
PDB_EXTRACT3.25data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2YXJ

2yxj


Resolution: 2.24→47.52 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.939 / SU R Cruickshank DPI: 0.281 / Cross valid method: FREE R-VALUE / σ(F): 0 / SU R Blow DPI: 0.263 / SU Rfree Blow DPI: 0.191 / SU Rfree Cruickshank DPI: 0.199
RfactorNum. reflection% reflectionSelection details
Rfree0.227 4655 5 %RANDOM
Rwork0.2 ---
obs0.201 93094 99.5 %-
Displacement parametersBiso max: 182.4 Å2 / Biso mean: 74.21 Å2 / Biso min: 29.64 Å2
Baniso -1Baniso -2Baniso -3
1-5.7994 Å20 Å2-5.8733 Å2
2---7.4354 Å20 Å2
3---1.636 Å2
Refine analyzeLuzzati coordinate error obs: 0.31 Å
Refinement stepCycle: final / Resolution: 2.24→47.52 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13445 0 630 185 14260
Biso mean--91.49 55.85 -
Num. residues----1704
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d4840SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes
X-RAY DIFFRACTIONt_gen_planes2710HARMONIC5
X-RAY DIFFRACTIONt_it14415HARMONIC20
X-RAY DIFFRACTIONt_nbd
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion1696SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact16785SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d14415HARMONIC20.01
X-RAY DIFFRACTIONt_angle_deg19567HARMONIC20.95
X-RAY DIFFRACTIONt_omega_torsion2.63
X-RAY DIFFRACTIONt_other_torsion17.4
LS refinement shellResolution: 2.24→2.26 Å / Rfactor Rfree error: 0 / Total num. of bins used: 50
RfactorNum. reflection% reflection
Rfree0.2565 93 4.99 %
Rwork0.2267 1769 -
all0.2282 1862 -
obs--81.58 %
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)
12.1780.0852-1.42472.4398-0.92622.4745-0.2796-0.0617-0.3313-0.46410.0119-0.06780.72990.03870.26760.09740.03130.0633-0.1935-0.0062-0.259537.4452-40.237929.0205
21.0442-0.4014-0.50352.2255-0.04580.9560.013-0.11120.12330.00830.0464-0.18120.07820.0768-0.0594-0.0222-0.00540.0204-0.0814-0.0028-0.141437.2219-15.756930.7826
32.72120.4004-0.27082.3551.73634.5738-0.0844-0.2338-0.00470.16340.6348-0.5364-0.0451.0762-0.5504-0.19690.0262-0.0010.0145-0.1982-0.192244.442125.603462.4305
40.4592-0.2086-0.39250.5149-0.15030.5023-0.0320.11580.11180.02830.12860.02440.0885-0.1078-0.0966-0.15110.0142-0.1013-0.08220.0142-0.162831.85994.959426.4049
52.24230.87330.54611.88651.46993.3852-0.1220.27040.1524-0.3210.2197-0.0015-0.33190.1606-0.0977-0.0201-0.0340.0405-0.14690.0042-0.167727.689919.194244.7456
64.09290.18270.13011.73910.83594.49250.2524-1.05361.05880.14270.1149-0.24-0.85520.7616-0.3672-0.3159-0.20230.1333-0.0141-0.32130.030163.485631.125443.7664
74.62460.3689-1.94271.38540.86153.82190.15350.25070.39320.01150.0362-0.0418-0.1065-0.0485-0.1897-0.246-0.01270.0025-0.15070.0007-0.046252.18815.774626.6487
86.1009-0.6837-0.62483.3434-1.92293.56410.22961.40620.7443-0.2160.3460.3806-0.0118-0.6264-0.5756-0.3684-0.0231-0.00940.32980.3167-0.20282.911625.0904-5.5259
98.6963-1.3342-2.82981.862-1.11663.5708-0.2131-0.5962-0.1468-0.01110.15230.0420.28310.41750.0607-0.25440.0238-0.0461-0.05030.0076-0.273717.891614.266211.5711
103.4747-1.0439-2.52812.40520.35314.84090.4232-0.24380.8493-0.29860.2208-0.263-0.40810.6229-0.644-0.2349-0.0440.1633-0.125-0.1266-0.086159.8172-16.50769.4378
115.03630.079-2.78352.4951-0.75332.4775-0.5777-0.8698-0.5987-0.09360.0834-0.2980.74920.83210.49440.1280.26540.1510.12810.0577-0.292261.2601-39.784718.2418
126.22280.0178-1.42793.2273-1.06312.95120.0809-1.0808-0.27760.1691-0.165-0.14880.14390.75120.0841-0.35130.0488-0.02840.26010.0454-0.1341-8.39911.290128.5703
135.3698-0.4228-1.59132.4482-1.92424.78730.5560.69091.44590.2403-0.2978-0.0198-0.72350.1071-0.2582-0.4718-0.03460.1545-0.11990.20660.0936-15.528830.37813.5396
140.57640.158-0.43280.0959-0.14010.2138-0.0414-0.06970.20470.16160.207-0.0581-0.17450.2459-0.16560.02360.09420.09050.1897-0.1373-0.297437.01033.497933.2694
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ A|-5 - A|196 }A-5 - 196
2X-RAY DIFFRACTION2{ B|-4 - B|196 }B-4 - 196
3X-RAY DIFFRACTION3{ C|-2 - C|196 }C-2 - 196
4X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }A304
5X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }C305
6X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }B305
7X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }E303
8X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }D306
9X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }G302
10X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }F303
11X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }I303
12X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }H303
13X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }K303
14X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }J303
15X-RAY DIFFRACTION4{ A|304 - A|304 C|305 - C|305 B|305 - B|305 E|303 - E|303 D|306 - D|306 G|302 - G|302 F|303 - F|303 I|303 - I|303 H|303 - H|303 K|303 - K|303 J|303 - J|303 L|301 - L|301 }L301
16X-RAY DIFFRACTION5{ D|-4 - D|196 }D-4 - 196
17X-RAY DIFFRACTION6{ E|1 - E|195 }E1 - 195
18X-RAY DIFFRACTION7{ F|1 - F|196 }F1 - 196
19X-RAY DIFFRACTION8{ G|1 - G|195 }G1 - 195
20X-RAY DIFFRACTION9{ H|-2 - H|196 }H-2 - 196
21X-RAY DIFFRACTION10{ I|3 - I|196 }I3 - 196
22X-RAY DIFFRACTION11{ J|-5 - J|195 }J-5 - 195
23X-RAY DIFFRACTION12{ K|-1 - K|202 }K-1 - 202
24X-RAY DIFFRACTION13{ L|-1 - L|195 }L-1 - 195
25X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }A301 - 302
26X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }C301 - 303
27X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }B301 - 303
28X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }E301 - 302
29X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }D301 - 303
30X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }G301
31X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }F301 - 302
32X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }I301 - 302
33X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }H301
34X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }K301 - 302
35X-RAY DIFFRACTION14{ A|301 - A|302 C|301 - C|303 B|301 - B|303 E|301 - E|302 D|301 - D|303 G|301 - G|301 F|301 - F|302 I|301 - I|302 H|301 - H|301 K|301 - K|302 J|301 - J|301 }J301

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