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- PDB-3is5: Crystal structure of CDPK kinase domain from toxoplasma Gondii, T... -

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Basic information

Entry
Database: PDB / ID: 3is5
TitleCrystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720
ComponentsCalcium-dependent protein kinase
KeywordsTRANSFERASE / toxoplasma gondii / cdpk / structural genomics / parasitology / Structural Genomics Consortium / SGC / ATP-binding / Kinase / Nucleotide-binding / Serine/threonine-protein kinase
Function / homology
Function and homology information


Transferase(Phosphotransferase) domain 1 / Transferase(Phosphotransferase); domain 1 / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / :
Similarity search - Component
Biological speciesToxoplasma gondii (eukaryote)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.55 Å
AuthorsWernimont, A.K. / Artz, J.D. / Senisterra, G. / MacKenzie, F. / Hutchinson, A. / Kozieradzki, I. / Cossar, D. / Bochkarev, A. / Arrowsmith, C.H. / Edwards, A.M. ...Wernimont, A.K. / Artz, J.D. / Senisterra, G. / MacKenzie, F. / Hutchinson, A. / Kozieradzki, I. / Cossar, D. / Bochkarev, A. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Weigelt, J. / Hui, R. / Lin, Y.H. / Structural Genomics Consortium (SGC)
CitationJournal: To be Published
Title: Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720
Authors: Wernimont, A.K. / Artz, J.D. / Senisterra, G. / MacKenzie, F. / Hutchinson, A. / Kozieradzki, I. / Cossar, D. / Bochkarev, A. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Weigelt, J. / Hui, R. / Lin, Y.H.
History
DepositionAug 25, 2009Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 20, 2009Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Advisory / Refinement description ...Advisory / Refinement description / Source and taxonomy / Version format compliance
Revision 1.2Nov 1, 2017Group: Refinement description / Category: software
Revision 1.3Sep 6, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Calcium-dependent protein kinase
B: Calcium-dependent protein kinase
C: Calcium-dependent protein kinase
D: Calcium-dependent protein kinase
E: Calcium-dependent protein kinase
F: Calcium-dependent protein kinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)199,57928
Polymers195,6316
Non-polymers3,94822
Water2,774154
1


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area19370 Å2
ΔGint-113 kcal/mol
Surface area65160 Å2
MethodPISA
Unit cell
Length a, b, c (Å)113.973, 113.973, 153.471
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number145
Space group name H-MP32

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Components

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein
Calcium-dependent protein kinase


Mass: 32605.246 Da / Num. of mol.: 6 / Fragment: kinase domain (UNP residues 112-378)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Toxoplasma gondii (eukaryote) / Strain: ME49 / Gene: TGME49_018720 / Production host: Escherichia coli (E. coli) / Strain (production host): PET15
References: UniProt: B6KS23, Ca2+/calmodulin-dependent protein kinase

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Non-polymers , 5 types, 176 molecules

#2: Chemical
ChemComp-ANP / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER


Mass: 506.196 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C10H17N6O12P3 / Comment: AMP-PNP, energy-carrying molecule analogue*YM
#3: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Ca
#4: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C3H8O3
#5: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 154 / 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: 2.94 Å3/Da / Density % sol: 58.19 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 9.5
Details: 0.1 M Glycine pH 9.5, 13.6% PEG8000, 0.2 M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 0.96427 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jun 20, 2009
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.96427 Å / Relative weight: 1
ReflectionResolution: 2.4→50 Å / Num. all: 87230 / Num. obs: 87222 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 5.8 % / Biso Wilson estimate: 54 Å2 / Rmerge(I) obs: 0.094 / Rsym value: 0.071 / Χ2: 1.361 / Net I/σ(I): 8
Reflection shellResolution: 2.4→2.49 Å / Redundancy: 5.8 % / Rmerge(I) obs: 0.999 / Mean I/σ(I) obs: 1.85 / Num. unique all: 8761 / Rsym value: 0.917 / Χ2: 1.235 / % possible all: 100

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
REFMACrefinement
PDB_EXTRACT3.005data extraction
HKL-2000data collection
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3dxn

3dxn


Resolution: 2.55→50 Å / Cor.coef. Fo:Fc: 0.93 / Cor.coef. Fo:Fc free: 0.899 / WRfactor Rfree: 0.247 / WRfactor Rwork: 0.21 / Occupancy max: 1 / Occupancy min: 0.2 / FOM work R set: 0.826 / SU B: 21.272 / SU ML: 0.22 / SU R Cruickshank DPI: 0.453 / SU Rfree: 0.285 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.453 / ESU R Free: 0.285 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES: RESIDUAL ONLY
RfactorNum. reflection% reflectionSelection details
Rfree0.259 3622 5 %RANDOM
Rwork0.218 ---
all0.22 72700 --
obs0.22 72046 99.1 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso max: 94.45 Å2 / Biso mean: 26.728 Å2 / Biso min: 2 Å2
Baniso -1Baniso -2Baniso -3
1-0.13 Å20.06 Å20 Å2
2--0.13 Å20 Å2
3----0.19 Å2
Refinement stepCycle: LAST / Resolution: 2.55→50 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11865 0 237 154 12256
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0070.02212386
X-RAY DIFFRACTIONr_angle_refined_deg1.121.98116809
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.39151521
X-RAY DIFFRACTIONr_dihedral_angle_2_deg35.54124.728533
X-RAY DIFFRACTIONr_dihedral_angle_3_deg17.704152031
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.4271543
X-RAY DIFFRACTIONr_chiral_restr0.0730.21887
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0219187
X-RAY DIFFRACTIONr_mcbond_it0.2541.57645
X-RAY DIFFRACTIONr_mcangle_it0.483212231
X-RAY DIFFRACTIONr_scbond_it0.74334741
X-RAY DIFFRACTIONr_scangle_it1.3574.54574
LS refinement shellResolution: 2.55→2.616 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.39 246 -
Rwork0.355 4550 -
all-4796 -
obs-4873 90.12 %
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)
12.14533.3811.85567.55951.35123.938-0.20580.06150.4468-0.68660.1330.6027-0.1893-0.28110.07280.15960.02880.01210.18360.10150.3203-6.5363-74.918216.6327
23.2977-0.378-0.90713.31191.36765.47750.1759-0.04190.8513-0.19230.15780.0351-0.7075-0.1256-0.33370.1461-0.0244-0.00440.11960.10840.352-10.8053-74.806122.0073
32.8430.8964-0.34724.1213-0.69363.0160.10540.09610.5133-0.1058-0.16240.0344-0.24680.210.0570.0320.00310.01420.19020.01460.2096-9.6257-81.222326.5522
40.7351-1.3212.94682.7228-4.512315.91470.35420.1385-0.2572-0.5771-0.33540.46151.9303-0.0836-0.01870.4351-0.09380.00050.3883-0.15810.5553-18.6184-107.355724.8982
52.5568-0.5864-0.98452.77660.3681.69970.0194-0.17150.16770.04930.06370.0857-0.01640.0036-0.08310.0087-0.0058-0.02570.1765-0.00530.1393-15.2826-91.388232.3516
65.63252.4817-0.39333.55761.33860.96350.02430.29490.7142-0.2169-0.01030.4413-0.1672-0.1342-0.01410.14840.07540.04580.38960.06220.3602-29.4162-86.491531.621
710.4541-4.3196-0.46594.4728-0.84950.74190.09660.5487-0.2883-0.278-0.06880.30540.2192-0.4611-0.02780.0861-0.1558-0.04140.4987-0.03020.3419-35.205-97.888428.2868
84.8338-1.3583-0.89948.55972.03994.2962-0.0745-0.6208-0.5320.34360.06780.70840.3003-0.22910.00670.0535-0.04960.05070.29110.05630.152-27.4332-99.660241.2741
97.12540.29093.11641.39911.25932.3612-0.2493-0.33640.2870.12310.1550.173-0.11480.01610.09430.3564-0.09140.14680.25960.05910.40628.08-66.422633.0713
103.56171.30630.73655.4101-1.01043.92860.1136-0.12270.22340.1839-0.090.6399-0.4149-0.3266-0.02360.1257-0.05220.02660.15690.01340.167410.271-63.786128.1139
113.30130.9093-0.51551.9218-0.92482.28260.13670.05690.0280.01160.050.4228-0.0844-0.2116-0.18680.1119-0.0745-0.02150.09120.03210.17414.1628-66.81722.4544
1238.1832-1.9883-2.758412.40793.66314.93180.4196-1.9336-0.64370.44860.7184-0.14451.72060.9897-1.1380.3839-0.0696-0.23310.40770.1170.234141.1209-73.002929.9162
133.0846-0.83380.09332.5667-1.01512.1085-0.0036-0.0501-0.0069-0.18190.0410.0002-0.06540.1431-0.03740.112-0.0895-0.01980.10140.04350.112427.2612-67.722318.3694
147.0562-1.14361.54616.1329-1.43740.90490.1002-0.2490.4553-0.2189-0.1912-0.0284-0.24830.02380.0910.3457-0.08970.03340.18280.05110.212632.4749-54.430116.8962
150.44261.8583-0.03788.2873-0.88882.08260.00950.0031-0.0896-0.0044-0.0053-0.3067-0.15790.5308-0.00420.2305-0.1679-0.02990.27670.03430.275342.9777-55.465722.0308
165.25131.45140.65385.70340.80054.94340.1060.1933-0.0912-0.7009-0.0481-0.58390.09630.3184-0.0580.1534-0.04680.06640.20490.06920.103640.5359-63.94998.0944
173.38160.9470.54643.73451.75315.2316-0.32830.90590.1655-0.31240.208-0.0975-0.03030.50960.12030.0927-0.14480.01950.40450.03730.044134.0162-94.47399.1454
183.4901-0.67551.1671.5441-0.69543.52450.0060.6483-0.2692-0.32670.17770.31080.09720.0911-0.18370.09-0.1153-0.04190.3332-0.0370.20433.8631-99.299516.5447
192.9397.5866-3.427719.91-7.127416.1920.3519-0.00530.33280.88050.20830.718-1.88620.5331-0.56030.28680.10060.00380.5137-0.15480.55842.985-86.66638.8019
204.0854-1.178-0.09552.1213-0.03635.2825-0.03320.0035-0.56120.05850.13320.01370.40680.0371-0.10.03340.0073-0.00260.2004-0.00790.218642.5746-102.269629.1349
214.8396-0.4916-0.29751.5751-0.09223.21450.11230.4769-0.1224-0.1974-0.0003-0.28060.19280.4193-0.1120.04070.00550.02150.2581-0.04580.204648.4165-98.128826.8613
2216.29471.1848-6.82440.7079-1.96286.52350.03930.36890.83770.048-0.0862-0.2053-0.02980.27580.04690.0594-0.0041-0.13240.4647-0.06250.427960.7605-92.660832.1325
2325.46485.5439-19.53961.8998-6.587122.91680.7133-1.14840.86150.289-0.01220.1597-0.88240.2569-0.70110.3910.1395-0.2070.78990.00410.578655.6081-96.457745.5397
241.657-0.24822.4766.34730.35694.57970.3822-0.137-0.51940.56630.0591-0.2930.85950.4902-0.44140.25140.1347-0.04130.68420.24670.584351.4084-106.996139.4366
256.8436-0.0285-3.20854.1014-0.48394.91930.07680.2074-0.3718-0.2880.0366-0.08630.05140.34-0.11340.1164-0.0483-0.02160.2474-0.03640.052516.0472-107.92225.5592
264.8928-5.83975.118112.71768.6352.8471.10811.65280.6757-2.5385-2.1829-1.44930.8461-0.04071.07481.28170.01280.73481.10860.13410.776316.6704-100.6872-11.7277
275.0054-1.7252-0.00483.1679-0.63932.94680.16030.53370.233-0.1444-0.1112-0.3633-0.1110.2963-0.04910.1167-0.1286-0.00350.25810.03690.05410.9313-99.31212.3096
285.4059-0.44390.5046.94830.75573.46650.05820.61170.1956-0.2645-0.07170.6014-0.3796-0.56680.01350.2376-0.044-0.11370.33720.10180.1178-6.0911-93.6801-0.0327
296.994-2.722-2.04212.27670.81045.83090.01780.37840.0553-0.19160.1890.17780.18960.1864-0.20680.1614-0.1003-0.02120.18650.03810.0773-2.0283-98.05524.4747
308.04941.76060.67524.8908-1.41652.09760.3880.98670.0367-1.0923-0.00010.4920.0666-0.3912-0.38790.68380.0834-0.21590.71390.06450.2536-6.9951-97.2124-12.4268
3112.5571-2.74024.67014.1567-5.39937.1407-0.25960.3261-0.22890.0437-0.2637-0.3457-0.12260.34940.52330.4032-0.0086-0.38370.8829-0.05780.7661-18.7868-99.7935-7.2267
325.99040.0377-0.71884.4569-2.41016.50010.0180.6270.429-0.39090.04260.7189-1.1199-1.3668-0.06060.46370.1728-0.29070.66860.1990.3772-13.4553-86.3178-8.9121
336.95443.6823-0.9286.4851-1.22670.54430.0278-0.4616-0.18180.2967-0.1592-0.5135-0.00820.29270.13130.12820.0081-0.06610.26030.01210.114521.7289-104.568848.1906
343.35790.7126-1.29966.7305-2.701312.2673-0.06090.3496-0.1142-0.00720.078-0.22-0.2272-0.1126-0.01710.0129-0.0229-0.02080.14240.01430.147921.7037-101.183347.0405
3510.5394-9.41033.16218.9066-4.45326.3411-0.9328-1.4323-1.58480.94431.25371.3546-0.3839-0.3615-0.3210.5048-0.03010.11030.65460.1990.461216.1686-98.184963.8833
362.09310.3534-0.31694.4901-0.10792.42870.14740.05150.08340.11220.01130.21660.0337-0.1192-0.15870.0465-0.0564-0.03040.18060.01450.107818.1289-92.936849.2883
372.4785-2.06821.24719.4512-0.09492.93940.21260.73140.90020.0128-0.0959-0.9113-1.11180.7196-0.11670.7119-0.090.36650.37450.10760.566427.3852-71.894245.4975
382.20451.8548-1.36623.7725-2.35634.53970.0601-0.0480.30820.18060.0480.0854-0.23310.0491-0.10810.0735-0.02740.05480.1359-0.01650.115220.6156-82.114251.0752
393.80224.60362.02725.59272.41781.18850.3778-0.5220.0560.4877-0.6217-0.03620.0612-0.0740.2440.7275-0.157-0.1230.90020.00350.670727.3793-82.376767.0163
400.8253-1.95160.39914.8951-0.20583.3605-0.2703-0.2220.16980.64510.5162-0.2943-0.76370.1904-0.24590.4516-0.18360.09410.3464-0.1790.462727.0338-72.52757.3589
412.83650.2650.84585.4865-3.6427.38980.2664-0.17440.77110.9481-0.1139-0.3821-1.13390.5989-0.15250.5423-0.1270.05360.2237-0.27170.51326.5742-67.352360.7035
426.6097-0.25864.13061.59250.30668.1055-0.0108-0.1639-0.15940.1053-0.10910.2720.0089-0.29070.11990.1049-0.04960.01230.05420.01080.09431.9789-107.267245.4517
431.1495-2.84951.30688.1673-4.09754.5765-0.05180.01070.08960.174-0.1224-0.24480.04710.020.17430.0876-0.0415-0.02070.12820.0260.10362.4747-112.232343.2563
441.07220.12091.02451.76970.75063.7393-0.05540.06130.0721-0.04030.01170.0501-0.0207-0.00170.04370.0343-0.04030.00010.08720.02520.0712.1611-114.902930.1509
452.43731.136-0.62052.2868-0.22296.3911-0.00710.1657-0.227-0.13810.0595-0.29980.60750.3463-0.05240.1562-0.0107-0.03190.1159-0.03630.08857.3587-124.390925.2229
462.0203-0.55850.46851.0728-0.66317.10230.03960.0519-0.13220.2402-0.02240.1104-0.1294-0.0387-0.01720.107-0.0193-0.02640.0623-0.00250.0738-0.4982-116.799927.389
475.3552-0.23060.67723.2719-0.58372.59930.0297-0.2438-0.20820.1471-0.01110.13050.6208-0.2761-0.01860.2559-0.0885-0.04980.1102-0.02670.0955-6.2468-131.794423.8747
481.12980.51490.03320.392-0.64155.61840.16250.1058-0.27480.0217-0.0601-0.03170.51110.1576-0.10240.2992-0.0758-0.07590.1595-0.09250.1715-6.218-135.103914.4381
498.8513-4.0052.27935.3218-0.18679.33090.12810.84460.0554-0.4577-0.2537-0.52620.51580.86710.12560.22480.0638-0.00190.2434-0.08010.16527.0348-130.667812.9039
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A124 - 150
2X-RAY DIFFRACTION2A151 - 182
3X-RAY DIFFRACTION3A183 - 220
4X-RAY DIFFRACTION4A221 - 236
5X-RAY DIFFRACTION5A237 - 282
6X-RAY DIFFRACTION6A283 - 325
7X-RAY DIFFRACTION7A326 - 356
8X-RAY DIFFRACTION8A357 - 395
9X-RAY DIFFRACTION9B125 - 148
10X-RAY DIFFRACTION10B149 - 179
11X-RAY DIFFRACTION11B180 - 219
12X-RAY DIFFRACTION12B220 - 232
13X-RAY DIFFRACTION13B233 - 289
14X-RAY DIFFRACTION14B298 - 325
15X-RAY DIFFRACTION15B326 - 361
16X-RAY DIFFRACTION16B362 - 396
17X-RAY DIFFRACTION17C125 - 183
18X-RAY DIFFRACTION18C184 - 217
19X-RAY DIFFRACTION19C218 - 236
20X-RAY DIFFRACTION20C237 - 267
21X-RAY DIFFRACTION21C268 - 328
22X-RAY DIFFRACTION22C329 - 350
23X-RAY DIFFRACTION23C351 - 366
24X-RAY DIFFRACTION24C367 - 394
25X-RAY DIFFRACTION25D124 - 171
26X-RAY DIFFRACTION26D173 - 183
27X-RAY DIFFRACTION27D184 - 219
28X-RAY DIFFRACTION28D220 - 261
29X-RAY DIFFRACTION29D262 - 302
30X-RAY DIFFRACTION30D303 - 328
31X-RAY DIFFRACTION31D329 - 355
32X-RAY DIFFRACTION32D361 - 394
33X-RAY DIFFRACTION33E121 - 151
34X-RAY DIFFRACTION34E152 - 171
35X-RAY DIFFRACTION35E172 - 183
36X-RAY DIFFRACTION36E184 - 219
37X-RAY DIFFRACTION37E220 - 247
38X-RAY DIFFRACTION38E248 - 283
39X-RAY DIFFRACTION39E287 - 314
40X-RAY DIFFRACTION40E315 - 333
41X-RAY DIFFRACTION41E334 - 392
42X-RAY DIFFRACTION42F123 - 149
43X-RAY DIFFRACTION43F150 - 178
44X-RAY DIFFRACTION44F179 - 239
45X-RAY DIFFRACTION45F240 - 261
46X-RAY DIFFRACTION46F262 - 300
47X-RAY DIFFRACTION47F301 - 343
48X-RAY DIFFRACTION48F344 - 379
49X-RAY DIFFRACTION49F380 - 396

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