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- PDB-5cdq: 2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA -

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Basic information

Entry
Database: PDB / ID: 5cdq
Title2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA
Components
  • (DNA gyrase subunit ...) x 2
  • DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
KeywordsHYDROLASE / TYPE IIA TOPOISOMERASE / ANTIBACTERIAL / INHIBITOR
Function / homology
Function and homology information


DNA negative supercoiling activity / DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity / DNA topoisomerase (ATP-hydrolysing) / DNA topological change / DNA-templated DNA replication / chromosome / response to antibiotic / DNA binding / ATP binding / metal ion binding / cytoplasm
Similarity search - Function
Rossmann fold - #670 / DNA gyrase, subunit A / DNA gyrase/topoisomerase IV, subunit A, C-terminal repeat / DNA gyrase/topoisomerase IV, subunit A, C-terminal / DNA gyrase C-terminal domain, beta-propeller / Topoisomerase (Topo) IIA-type catalytic domain profile. / DNA gyrase subunit B, TOPRIM domain / DNA gyrase, subunit B / DNA topoisomerase, type IIA, subunit B / DNA topoisomerase, type IIA, alpha-helical domain superfamily ...Rossmann fold - #670 / DNA gyrase, subunit A / DNA gyrase/topoisomerase IV, subunit A, C-terminal repeat / DNA gyrase/topoisomerase IV, subunit A, C-terminal / DNA gyrase C-terminal domain, beta-propeller / Topoisomerase (Topo) IIA-type catalytic domain profile. / DNA gyrase subunit B, TOPRIM domain / DNA gyrase, subunit B / DNA topoisomerase, type IIA, subunit B / DNA topoisomerase, type IIA, alpha-helical domain superfamily / DNA topoisomerase, type IIA, domain A / DNA topoisomerase, type IIA, domain A, alpha-beta / DNA gyrase/topoisomerase IV, subunit A / DNA Topoisomerase IV / DNA gyrase B subunit, C-terminal / DNA gyrase B subunit, carboxyl terminus / DNA topoisomerase, type IIA, subunit B, domain 2 / DNA gyrase B / DNA topoisomerase, type IIA / DNA topoisomerase, type IIA, conserved site / DNA topoisomerase II signature. / TopoisomeraseII / DNA topoisomerase, type IIA, subunit B, C-terminal / Toprim domain / DNA topoisomerase, type IIA-like domain superfamily / Toprim domain profile. / TOPRIM domain / Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase / Histidine kinase-like ATPases / Histidine kinase/HSP90-like ATPase / Histidine kinase/HSP90-like ATPase superfamily / Ribosomal protein S5 domain 2-type fold, subgroup / Ribosomal protein S5 domain 2-type fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Chem-MFX / DNA / DNA (> 10) / DNA gyrase subunit B / DNA gyrase subunit A
Similarity search - Component
Biological speciesStaphylococcus aureus (bacteria)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.95 Å
AuthorsBax, B.D. / Srikannathasan, V. / Chan, P.F.
Citation
Journal: Nat Commun / Year: 2015
Title: Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Authors: Chan, P.F. / Srikannathasan, V. / Huang, J. / Cui, H. / Fosberry, A.P. / Gu, M. / Hann, M.M. / Hibbs, M. / Homes, P. / Ingraham, K. / Pizzollo, J. / Shen, C. / Shillings, A.J. / Spitzfaden, ...Authors: Chan, P.F. / Srikannathasan, V. / Huang, J. / Cui, H. / Fosberry, A.P. / Gu, M. / Hann, M.M. / Hibbs, M. / Homes, P. / Ingraham, K. / Pizzollo, J. / Shen, C. / Shillings, A.J. / Spitzfaden, C.E. / Tanner, R. / Theobald, A.J. / Stavenger, R.A. / Bax, B.D. / Gwynn, M.N.
#1: Journal: Acta Crystallogr F Struct Biol Commun / Year: 2015
Title: Crystallization and initial crystallographic analysis of covalent DNA-cleavage complexes of Staphyloccocus aureus DNA gyrase with QPT-1, moxifloxacin and etoposide.
Authors: Srikannathasan, V. / Wohlkonig, A. / Shillings, A. / Singh, O. / Chan, P.F. / Huang, J. / Gwynn, M.N. / Fosberry, A.P. / Homes, P. / Hibbs, M. / Theobald, A.J. / Spitzfaden, C. / Bax, B.D.
History
DepositionJul 4, 2015Deposition site: RCSB / Processing site: PDBE
Revision 1.0Dec 16, 2015Provider: repository / Type: Initial release
Revision 1.1Dec 21, 2016Group: Atomic model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA gyrase subunit A
B: DNA gyrase subunit B,DNA gyrase subunit B
C: DNA gyrase subunit A
D: DNA gyrase subunit B,DNA gyrase subunit B
E: DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
F: DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
R: DNA gyrase subunit A
S: DNA gyrase subunit B,DNA gyrase subunit B
T: DNA gyrase subunit A
U: DNA gyrase subunit B,DNA gyrase subunit B
V: DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
W: DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)333,19340
Polymers329,70712
Non-polymers3,48628
Water5,368298
1
A: DNA gyrase subunit A
B: DNA gyrase subunit B,DNA gyrase subunit B
C: DNA gyrase subunit A
D: DNA gyrase subunit B,DNA gyrase subunit B
E: DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
F: DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,59620
Polymers164,8546
Non-polymers1,74314
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22580 Å2
ΔGint-179 kcal/mol
Surface area56520 Å2
MethodPISA
2
R: DNA gyrase subunit A
S: DNA gyrase subunit B,DNA gyrase subunit B
T: DNA gyrase subunit A
U: DNA gyrase subunit B,DNA gyrase subunit B
V: DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
W: DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,59620
Polymers164,8546
Non-polymers1,74314
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22850 Å2
ΔGint-176 kcal/mol
Surface area55890 Å2
MethodPISA
Unit cell
Length a, b, c (Å)87.930, 170.550, 125.670
Angle α, β, γ (deg.)90.000, 103.300, 90.000
Int Tables number4
Space group name H-MP1211

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Components

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DNA gyrase subunit ... , 2 types, 8 molecules ACRTBDSU

#1: Protein
DNA gyrase subunit A /


Mass: 54664.223 Da / Num. of mol.: 4 / Fragment: UNP residues 10-490
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus (strain N315) (bacteria)
Strain: N315 / Gene: gyrA, SA0006 / Production host: Escherichia coli (E. coli) / References: UniProt: Q99XG5, EC: 5.99.1.3
#2: Protein
DNA gyrase subunit B,DNA gyrase subunit B /


Mass: 21612.596 Da / Num. of mol.: 4 / Fragment: UNP residues 414-640,UNP residues 414-640
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus (strain N315) (bacteria)
Strain: N315 / Gene: gyrB, SA0005 / Production host: Escherichia coli (E. coli) / References: UniProt: P66937, EC: 5.99.1.3

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DNA chain , 1 types, 4 molecules EFVW

#3: DNA chain
DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3')


Mass: 6149.978 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 326 molecules

#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: Mg
#5: 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
#6: Chemical
ChemComp-MFX / 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid / moxifloxacin / Moxifloxacin


Mass: 401.431 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C21H24FN3O4 / Source: (synth.) synthetic construct (others) / Comment: antibiotic*YM
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 298 / Source method: isolated from a natural source / Formula: H2O

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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: 2.78 Å3/Da / Density % sol: 55.78 %
Crystal growTemperature: 293 K / Method: microbatch / Details: 90mM BisTris pH 6.2, 8% PEG 5000 MME / PH range: 5.9-6.3

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 1.0332 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 9, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 2.95→19.99 Å / Num. obs: 75363 / % possible obs: 99.5 % / Redundancy: 3.4 % / Biso Wilson estimate: 83.42 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.104 / Rpim(I) all: 0.066 / Net I/σ(I): 10.6 / Num. measured all: 256079
Reflection shell

Diffraction-ID: 1 / Rejects: 0

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured allNum. unique allCC1/2Rpim(I) all% possible all
2.95-3.013.50.9751.61544944700.7070.61399.8
14.75-19.993.60.02840.513423730.9980.01859.6

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Processing

Software
NameVersionClassification
Aimless0.1.29data scaling
BUSTER-TNTBUSTER 2.11.5refinement
PDB_EXTRACT3.15data extraction
PHENIXphasing
RefinementResolution: 2.95→19.99 Å / Cor.coef. Fo:Fc: 0.908 / Cor.coef. Fo:Fc free: 0.8803 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.345
RfactorNum. reflection% reflectionSelection details
Rfree0.218 3794 5.09 %RANDOM
Rwork0.1745 ---
obs0.1767 74584 98.75 %-
Displacement parametersBiso max: 225.96 Å2 / Biso mean: 91.03 Å2 / Biso min: 31.19 Å2
Baniso -1Baniso -2Baniso -3
1-0.4318 Å20 Å2-10.5633 Å2
2--33.9863 Å20 Å2
3----34.4181 Å2
Refine analyzeLuzzati coordinate error obs: 0.466 Å
Refinement stepCycle: final / Resolution: 2.95→19.99 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms20892 1564 258 276 22990
Biso mean--80.3 63.3 -
Num. residues----2770
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d8217SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes594HARMONIC2
X-RAY DIFFRACTIONt_gen_planes3206HARMONIC5
X-RAY DIFFRACTIONt_it23295HARMONIC20
X-RAY DIFFRACTIONt_nbd7SEMIHARMONIC5
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion3107SEMIHARMONIC5
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_contact26650SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d23295HARMONIC20.009
X-RAY DIFFRACTIONt_angle_deg31845HARMONIC21.04
X-RAY DIFFRACTIONt_omega_torsion2.3
X-RAY DIFFRACTIONt_other_torsion20.15
LS refinement shellResolution: 2.95→3.03 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.2723 276 5.34 %
Rwork0.2315 4890 -
all0.2337 5166 -
obs--98.75 %
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)
14.88490.23510.16282.6242-0.57932.02850.1103-0.9104-0.5880.451-0.1596-0.22190.19940.47150.0494-0.17410.06260.10480.17020.1972-0.276939.4287-49.278583.9605
22.25410.171-0.23632.4083-0.61371.7111-0.18320.28080.4387-0.41370.10790.39-0.1497-0.04780.0754-0.1427-0.0522-0.0263-0.13850.0261-0.100727.1056-24.816552.5849
36.43433.3924-0.69256.4707-0.58024.8867-0.02250.3334-0.0816-0.3046-0.09190.33730.0901-0.08690.11440.01350.10820.0082-0.2743-0.02190.424528.88957.60756.5542
48.8327-1.31751.79182.04090.25160.3536-0.1435-0.071-0.0329-0.24310.10480.131-0.06890.08080.03880.09880.05620.132-0.17690.0665-0.091845.568919.192864.178
57.00081.5785-2.59352.2299-1.44786.89280.0169-0.6682-0.19250.59790.22560.3489-0.2463-0.3169-0.2425-0.17450.08220.1523-0.0050.00720.032420.5218-42.392380.1451
62.52850.96670.68870.1007-0.98633.7334-0.08950.9293-0.722-0.9250.141-0.05750.641-0.8475-0.05150.4792-0.25110.3990.0925-0.259-0.46460.2223-50.970537.8694
71.85290.3258-0.42353.07910.2252.3097-0.048-0.08930.3582-0.3183-0.0657-0.852-0.01720.00430.1137-0.25950.11340.1626-0.2828-0.02190.057674.406-27.816369.35
81.1541-4.7942-1.91247.8649-1.03291.90530.1078-0.3753-0.2492-0.1276-0.053-0.3525-0.08620.378-0.0548-0.0525-0.02380.1843-0.2360.06020.558177.20144.474265.9975
95.8014-0.93990.02194.9449-0.01521.4017-0.07720.03670.1304-0.50310.1415-0.5373-0.6093-0.1944-0.06440.14170.00970.2738-0.25060.0392-0.044561.971118.537659.2394
1010.1263-3.0202-4.311602.35614.3866-0.12150.584-0.1986-0.32710.2283-0.07660.12330.1965-0.10680.3814-0.08670.4616-0.3566-0.0487-0.104779.8894-45.892642.4262
112.731-0.1022-2.23643.2156-0.58730.2034-0.31220.0865-0.6376-0.00740.1215-0.40580.5331-0.43970.19070.07160.10110.3737-0.36130.0124-0.063170.5176-48.407360.5892
12-0.5154-1.93622.58784.7588-1.3873.5474-0.1563-0.0431-0.5037-0.71990.14720.00840.17350.16350.0091-0.2497-0.08320.0841-0.1804-0.04750.006928.3772-45.85160.9232
134.7786-0.0342.34042.81490.75366.1223-0.0730.6833-0.6243-0.2034-0.21670.3490.36860.09130.28970.1321-0.25280.17230.0139-0.2385-0.12125.9697-51.961533.4721
143.0956-0.2044-0.41076.3609-3.84317.9819-0.311-0.3065-0.4932-0.40950.1138-0.25080.7931-0.22550.19720.02010.10120.1429-0.091-0.0264-0.060771.1064-55.323888.4289
154.1013-1.2352-0.71851.22940.51551.9319-0.1296-0.75340.84050.9152-0.00540.1295-0.0886-0.16560.135-0.02410.0241-0.096-0.1346-0.2257-0.209278.0176-9.096722.1505
162.0512-0.5547-0.02252.61620.5610.9751-0.05970.15290.1178-0.2067-0.0382-0.43760.03540.07750.0979-0.1754-0.031-0.0369-0.15710.0298-0.123390.9814-34.6355-8.2454
173.66493.8093-1.49435.9535-3.03393.81630.0585-0.0213-0.2251-0.2133-0.0199-0.26050.0230.3007-0.03860.00390.06910.0406-0.17490.08750.183188.6985-66.5588-3.2559
186.40951.2989-1.71894.0229-2.94481.7157-0.29450.0043-0.1438-0.27510.07340.08870.2889-0.24890.22110.0290.05930.0672-0.19590.022-0.015771.8658-78.16914.0323
197.06341.2925-0.57682.03411.90216.4711-0.0094-0.60430.25280.80110.2744-0.49780.02620.3091-0.265-0.09380.06-0.3416-0.0338-0.08920.119796.961-15.963718.6886
204.9817-0.08560.11952.32180.31471.2625-0.250.99460.875-0.90540.12030.0791-0.09160.39820.12980.261-0.1356-0.1671-0.11330.2344-0.429357.0835-8.1449-23.8679
212.61080.34610.46143.5834-0.34391.5256-0.1192-0.408-0.2601-0.20910.03860.7873-0.0255-0.10170.0807-0.19580.1945-0.0059-0.16130.0023-0.139443.5585-30.91578.032
225.2517-2.18131.10257.90772.09440.22780.0867-0.10750.0483-0.0745-0.1010.3352-0.1837-0.40560.0143-0.09820.0044-0.0165-0.19260.13260.414440.2425-63.15824.984
233.3657-1.923-0.67685.33880.02722.139-0.29310.0875-0.1554-0.39680.27310.5560.62320.11750.02-0.0624-0.085-0.075-0.25210.00960.157255.4504-77.407-1.289
245.5187-2.27660.06943.1279-1.87255.5587-0.16240.67980.1865-0.11140.2390.03910.033-0.2217-0.07660.072-0.0055-0.3296-0.16560.04380.030637.8133-12.9691-19.6459
251.8022-0.54961.11584.52360.04814.5109-0.3126-0.02290.73850.1030.11840.4334-0.06530.50560.19430.07260.279-0.3162-0.3923-0.1113-0.007847.0837-10.4471-0.9865
261.14880.1803-2.48965.725-0.90720.5059-0.2549-0.13240.8-0.89050.187-0.1084-0.0536-0.30860.0679-0.1636-0.1401-0.092-0.21140.03240.102889.1994-13.1012-0.6653
273.9409-0.9707-1.17825.9791-3.08722.45870.07040.93370.7276-0.5803-0.1557-0.3326-0.3875-0.24280.08530.35020.02090.0468-0.13030.3173-0.13591.761-8.232-28.8487
280.4623.05810.25558.12060.52620.195-0.1563-0.4380.67230.3697-0.21710.1965-0.67090.17030.37350.05480.2285-0.09230.2653-0.2353-0.183546.5599-3.019626.4474
294.15531.289-3.58723.7269-0.97958.1404-0.1672-0.03460.0723-0.26050.36050.10690.20410.213-0.1934-0.1406-0.06130.13640.2903-0.0673-0.16649.4946-48.115860.6792
305.40343.58924.80043.82191.145811.0583-0.05860.216-0.0991-0.08450.21180.0553-0.1948-0.0563-0.1533-0.19140.0336-0.11670.1184-0.03830.051768.1394-10.7974-1.1062
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ B|417 - B|608 B|1001 - B|1005 }B417 - 608
2X-RAY DIFFRACTION1{ B|417 - B|608 B|1001 - B|1005 }B1001 - 1005
3X-RAY DIFFRACTION2{ A|29 - A|244 A|328 - A|369 A|461 - A|490 }A29 - 244
4X-RAY DIFFRACTION2{ A|29 - A|244 A|328 - A|369 A|461 - A|490 }A328 - 369
5X-RAY DIFFRACTION2{ A|29 - A|244 A|328 - A|369 A|461 - A|490 }A461 - 490
6X-RAY DIFFRACTION3{ A|370 - A|379 A|445 - A|460 }A370 - 379
7X-RAY DIFFRACTION3{ A|370 - A|379 A|445 - A|460 }A445 - 460
8X-RAY DIFFRACTION4{ A|380 - A|444 }A380 - 444
9X-RAY DIFFRACTION5{ A|10 - A|28 B|609 - B|636 }A10 - 28
10X-RAY DIFFRACTION5{ A|10 - A|28 B|609 - B|636 }B609 - 636
11X-RAY DIFFRACTION6{ D|417 - D|608 D|1001 - D|1005 }D417 - 608
12X-RAY DIFFRACTION6{ D|417 - D|608 D|1001 - D|1005 }D1001 - 1005
13X-RAY DIFFRACTION7{ C|29 - C|244 C|328 - C|369 C|461 - C|490 }C29 - 244
14X-RAY DIFFRACTION7{ C|29 - C|244 C|328 - C|369 C|461 - C|490 }C328 - 369
15X-RAY DIFFRACTION7{ C|29 - C|244 C|328 - C|369 C|461 - C|490 }C461 - 490
16X-RAY DIFFRACTION8{ C|370 - C|379 C|445 - C|460 }C370 - 379
17X-RAY DIFFRACTION8{ C|370 - C|379 C|445 - C|460 }C445 - 460
18X-RAY DIFFRACTION9{ C|380 - C|444 }C380 - 444
19X-RAY DIFFRACTION10{ C|11 - C|28 D|609 - D|636 }C11 - 28
20X-RAY DIFFRACTION10{ C|11 - C|28 D|609 - D|636 }D609 - 636
21X-RAY DIFFRACTION11{ E|1 - E|8 F|2013 - F|2019 }E1 - 8
22X-RAY DIFFRACTION11{ E|1 - E|8 F|2013 - F|2019 }F2013 - 2019
23X-RAY DIFFRACTION12{ E|2013 - E|2019 F|1 - F|8 }E2013 - 2019
24X-RAY DIFFRACTION12{ E|2013 - E|2019 F|1 - F|8 }F1 - 8
25X-RAY DIFFRACTION13{ A|245 - A|327 }A245 - 327
26X-RAY DIFFRACTION14{ C|245 - C|327 }C245 - 327
27X-RAY DIFFRACTION15{ S|417 - S|608 S|1001 - S|1005 }S417 - 608
28X-RAY DIFFRACTION15{ S|417 - S|608 S|1001 - S|1005 }S1001 - 1005
29X-RAY DIFFRACTION16{ R|29 - R|244 R|328 - R|369 R|461 - R|490 }R29 - 244
30X-RAY DIFFRACTION16{ R|29 - R|244 R|328 - R|369 R|461 - R|490 }R328 - 369
31X-RAY DIFFRACTION16{ R|29 - R|244 R|328 - R|369 R|461 - R|490 }R461 - 490
32X-RAY DIFFRACTION17{ R|370 - R|379 R|445 - R|460 }R370 - 379
33X-RAY DIFFRACTION17{ R|370 - R|379 R|445 - R|460 }R445 - 460
34X-RAY DIFFRACTION18{ R|380 - R|444 }R380 - 444
35X-RAY DIFFRACTION19{ R|10 - R|28 S|609 - S|636 }R10 - 28
36X-RAY DIFFRACTION19{ R|10 - R|28 S|609 - S|636 }S609 - 636
37X-RAY DIFFRACTION20{ U|417 - U|608 U|1001 - U|1005 }U417 - 608
38X-RAY DIFFRACTION20{ U|417 - U|608 U|1001 - U|1005 }U1001 - 1005
39X-RAY DIFFRACTION21{ T|29 - T|244 T|328 - T|369 T|461 - T|490 }T29 - 244
40X-RAY DIFFRACTION21{ T|29 - T|244 T|328 - T|369 T|461 - T|490 }T328 - 369
41X-RAY DIFFRACTION21{ T|29 - T|244 T|328 - T|369 T|461 - T|490 }T461 - 490
42X-RAY DIFFRACTION22{ T|370 - T|379 T|445 - T|460 }T370 - 379
43X-RAY DIFFRACTION22{ T|370 - T|379 T|445 - T|460 }T445 - 460
44X-RAY DIFFRACTION23{ T|380 - T|444 }T380 - 444
45X-RAY DIFFRACTION24{ T|10 - T|28 U|609 - U|636 }T10 - 28
46X-RAY DIFFRACTION24{ T|10 - T|28 U|609 - U|636 }U609 - 636
47X-RAY DIFFRACTION25{ V|1 - V|8 W|2013 - W|2019 }V1 - 8
48X-RAY DIFFRACTION25{ V|1 - V|8 W|2013 - W|2019 }W2013 - 2019
49X-RAY DIFFRACTION26{ V|2013 - V|2019 W|1 - W|8 }V2013 - 2019
50X-RAY DIFFRACTION26{ V|2013 - V|2019 W|1 - W|8 }W1 - 8
51X-RAY DIFFRACTION27{ R|245 - R|327 }R245 - 327
52X-RAY DIFFRACTION28{ T|245 - T|327 }T245 - 327
53X-RAY DIFFRACTION29{ E|2009 - E|2012 F|2009 - F|2012 A|1100 C|1100 }E2009 - 2012
54X-RAY DIFFRACTION29{ E|2009 - E|2012 F|2009 - F|2012 A|1100 C|1100 }F2009 - 2012
55X-RAY DIFFRACTION29{ E|2009 - E|2012 F|2009 - F|2012 A|1100 C|1100 }A1100
56X-RAY DIFFRACTION29{ E|2009 - E|2012 F|2009 - F|2012 A|1100 C|1100 }C1100
57X-RAY DIFFRACTION30{ V|2009 - V|2012 W|2009 - W|2012 R|1100 T|1100 }V2009 - 2012
58X-RAY DIFFRACTION30{ V|2009 - V|2012 W|2009 - W|2012 R|1100 T|1100 }W2009 - 2012
59X-RAY DIFFRACTION30{ V|2009 - V|2012 W|2009 - W|2012 R|1100 T|1100 }R1100
60X-RAY DIFFRACTION30{ V|2009 - V|2012 W|2009 - W|2012 R|1100 T|1100 }T1100

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