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- PDB-2gmw: Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase fro... -

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Basic information

Entry
Database: PDB / ID: 2gmw
TitleCrystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli.
ComponentsD,D-heptose 1,7-bisphosphate phosphatase
KeywordsHYDROLASE / Zn-binding protein
Function / homology
Function and homology information


D-glycero-beta-D-manno-heptose 1,7-bisphosphate 7-phosphatase / D-glycero-beta-D-manno-heptose 1,7-bisphosphate 7-phosphatase activity / ADP-L-glycero-beta-D-manno-heptose biosynthetic process / lipopolysaccharide core region biosynthetic process / magnesium ion binding / zinc ion binding / cytosol
Similarity search - Function
D,D-heptose 1,7-bisphosphate phosphatase / Histidinol-phosphate phosphatase / HAD-superfamily hydrolase,subfamily IIIA / HAD-hyrolase-like / HAD superfamily/HAD-like / HAD superfamily / HAD-like superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
D-glycero-beta-D-manno-heptose-1,7-bisphosphate 7-phosphatase
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.5 Å
AuthorsZhang, K. / DeLeon, G. / Wright, G.D. / Junop, M.S.
CitationJournal: Biochemistry / Year: 2010
Title: Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Authors: Taylor, P.L. / Sugiman-Marangos, S. / Zhang, K. / Valvano, M.A. / Wright, G.D. / Junop, M.S.
History
DepositionApr 7, 2006Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 10, 2007Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Oct 18, 2017Group: Refinement description / Category: software / Item: _software.name
Revision 1.4Oct 25, 2017Group: Author supporting evidence / Category: pdbx_struct_assembly_auth_evidence
Revision 1.5Feb 14, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / 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 / _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_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: D,D-heptose 1,7-bisphosphate phosphatase
B: D,D-heptose 1,7-bisphosphate phosphatase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)47,1124
Polymers46,9812
Non-polymers1312
Water9,926551
1
A: D,D-heptose 1,7-bisphosphate phosphatase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,5562
Polymers23,4911
Non-polymers651
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: D,D-heptose 1,7-bisphosphate phosphatase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,5562
Polymers23,4911
Non-polymers651
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)51.904, 63.977, 103.324
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
DetailsThe biological assembly is a monomer as determined by gel filtration chromatography.

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Components

#1: Protein D,D-heptose 1,7-bisphosphate phosphatase / D-glycero-D-manno-heptose 1 / 7-bisphosphate phosphatase


Mass: 23490.607 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: gmhB / Production host: Escherichia coli (E. coli)
References: UniProt: P63228, Hydrolases; Acting on ester bonds; Phosphoric-monoester hydrolases
#2: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 551 / 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: 1.82 Å3/Da / Density % sol: 32.6 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.8
Details: 25% PEG 3350, 0.1M Tris, 0.005M DTT, 0.025M sodium chloride, 11% glyceol, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X8C / Wavelength: 1.1 Å
DetectorType: ADSC QUANTUM 4 / Detector: CCD / Date: Oct 30, 2005 / Details: mirrors
RadiationMonochromator: dual crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 1.5→40.19 Å / Num. all: 54729 / Num. obs: 54729 / % possible obs: 98 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 5.47 % / Rmerge(I) obs: 0.031 / Net I/σ(I): 22.7
Reflection shellResolution: 1.5→1.55 Å / Redundancy: 3.34 % / Rmerge(I) obs: 0.253 / Mean I/σ(I) obs: 4.4 / % possible all: 93.1

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Processing

Software
NameVersionClassification
REFMAC5.2.0005refinement
CrystalClear(MSC/RIGAKU)data reduction
d*TREKdata scaling
PHENIXphasing
RefinementMethod to determine structure: SAD / Resolution: 1.5→25 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.96 / SU B: 3.828 / SU ML: 0.063 / Cross valid method: THROUGHOUT / σ(F): 1 / ESU R: 0.107 / ESU R Free: 0.085 / Stereochemistry target values: Engh & Huber
RfactorNum. reflection% reflectionSelection details
Rfree0.21236 2761 5.1 %RANDOM
Rwork0.16274 ---
all0.16529 51887 --
obs0.16529 51887 100 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 23.263 Å2
Baniso -1Baniso -2Baniso -3
1--0.93 Å20 Å20 Å2
2---0.87 Å20 Å2
3---1.8 Å2
Refinement stepCycle: LAST / Resolution: 1.5→25 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3047 0 2 551 3600
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0130.0223154
X-RAY DIFFRACTIONr_angle_refined_deg1.3841.9494331
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.6545427
X-RAY DIFFRACTIONr_dihedral_angle_2_deg38.15424.847163
X-RAY DIFFRACTIONr_dihedral_angle_3_deg12.43615542
X-RAY DIFFRACTIONr_dihedral_angle_4_deg10.6971520
X-RAY DIFFRACTIONr_chiral_restr0.0950.2479
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.022478
X-RAY DIFFRACTIONr_nbd_refined0.2190.21535
X-RAY DIFFRACTIONr_nbtor_refined0.3090.22175
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1750.2416
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.2290.298
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.1670.278
X-RAY DIFFRACTIONr_mcbond_it1.3451.51985
X-RAY DIFFRACTIONr_mcangle_it1.81723137
X-RAY DIFFRACTIONr_scbond_it3.03831330
X-RAY DIFFRACTIONr_scangle_it4.154.51160
LS refinement shellResolution: 1.5→1.539 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.307 183 -
Rwork0.213 3517 -
obs--100 %
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)
10.1680.03590.17181.42480.67451.05730.036-0.05830.0648-0.10020.1531-0.0407-0.0081-0.0328-0.1892-0.08470.00990.0051-0.0386-0.0051-0.021520.459349.915217.441
20.760.28560.05471.6782-0.45521.09090.0239-0.0436-0.0111-0.0409-0.0198-0.177-0.0388-0.0366-0.004-0.09540.01440.0004-0.04590.0142-0.03755.77113.008617.5296
31.0191-0.3679-0.02121.15770.44360.92190.0946-0.00390.0988-0.23140.0491-0.016-0.15080.0823-0.1437-0.0378-0.00860.0429-0.0694-0.025-0.00321.997953.822110.2697
41.272-0.08340.03521.00360.03350.79010.04620.0727-0.1267-0.1384-0.0322-0.0930.0321-0.0424-0.014-0.04050.0174-0.0065-0.05520.002-0.06054.7659.438310.0514
50.89590.55120.13531.05190.65530.7550.0517-0.10060.1041-0.27420.1456-0.1406-0.1350.17-0.1972-0.0168-0.00660.0565-0.0252-0.0461-0.01825.062652.07659.9819
61.7467-0.4526-0.32261.6113-0.09120.412-0.01080.0117-0.0091-0.19770.0533-0.1640.0122-0.0934-0.0425-0.03190.0213-0.0035-0.04190.0018-0.07421.692411.23029.6625
70.6567-0.1555-0.23921.22840.52570.94660.0753-0.08490.0269-0.11130.1054-0.0457-0.07590.0664-0.1807-0.0667-0.00480.0167-0.055-0.0296-0.049722.762850.233215.2798
81.3608-0.05740.18720.9737-0.0350.73690.0312-0.0154-0.0437-0.05250.0111-0.0969-0.0196-0.0976-0.0423-0.05830.0153-0.003-0.06710.0007-0.07883.653412.729614.8852
9000000000000000-0.0212-0.0760.08710.0376-0.1025-0.006822.627659.692525.3702
100000000000000000.0019-0.0114-0.04760.00120.0434-0.0153.40992.695124.7372
110.4791-0.64380.00311.47821.07082.06940.0673-0.07190.0815-0.13140.0933-0.1775-0.15690.0498-0.1606-0.0833-0.02130.0283-0.0323-0.0185-0.024524.984652.349916.0423
120.836-0.1112-0.03492.0423-0.15851.1070.0046-0.039-0.0579-0.11560.00430.003-0.0392-0.1047-0.0089-0.05940.0190.0001-0.0418-0.0132-0.07251.550210.609515.5556
130.4994-0.4052-0.02510.51850.68192.3080.1105-0.2490.1657-0.0310.1654-0.1501-0.0770.1623-0.2758-0.0376-0.02790.064-0.0075-0.04060.035421.435453.668222.7919
140.7504-0.9460.0261.3392-0.70593.09230.0532-0.188-0.11520.2014-0.1031-0.08150.1449-0.09480.0499-0.09990.0016-0.0307-0.0080.0207-0.06564.27028.902922.7504
150.1677-0.4389-0.27551.44920.36090.88450.0963-0.08320.1106-0.19810.0583-0.0809-0.08640.1027-0.1547-0.0348-0.01010.0244-0.036-0.0374-0.017924.550750.020510.6517
160.9072-0.79380.14141.81420.28420.81340.050.0059-0.0274-0.1657-0.0471-0.0235-0.0404-0.0584-0.003-0.04640.01730.0027-0.04390.0013-0.08542.124413.174510.5252
170.3781-0.4578-0.09391.28270.46891.08320.1435-0.07240.0553-0.17880.0386-0.088-0.07620.0049-0.1821-0.0425-0.00890.0226-0.0488-0.0158-0.030821.818151.161913.6705
180.5686-0.15890.09821.07050.06461.12960.0313-0.023-0.0567-0.1575-0.0756-0.19920.0149-0.08560.0442-0.04960.00520.0013-0.0510.0083-0.04954.735811.988513.5889
190.5611-0.46760.00251.43390.54320.91130.0924-0.09130.0624-0.17760.03480.0382-0.23920.0133-0.1271-0.028-0.00920.0496-0.0398-0.0395-0.015817.649455.428814.8639
201.3517-0.1878-0.27060.51390.12131.01030.0817-0.0918-0.0744-0.05020.0043-0.07520.00750.0883-0.086-0.020.0122-0.0285-0.0588-0.0034-0.05998.89187.679214.9475
210.6379-0.2372-0.14141.05690.48270.95840.0909-0.12680.02870.00220.0497-0.0426-0.01030.0041-0.1406-0.0635-0.00910.0004-0.0335-0.0167-0.030821.656650.00618.7149
220.8633-0.12020.12381.09550.39640.74820.0888-0.063-0.0352-0.0355-0.0598-0.11710.01420.0127-0.029-0.06260.00980.0014-0.05270.0136-0.06284.501912.981518.3702
231.0373-0.0547-0.31741.34880.38690.1990.1234-0.01970.133-0.32510.2032-0.1436-0.22150.1257-0.32660.01890.01220.0392-0.0098-0.0851-0.000122.044749.43217.8785
240.7715-0.3182-0.49981.60470.51830.390.1210.1333-0.033-0.23360.0202-0.1585-0.10050.05-0.1412-0.01830.01130.0268-0.04080.0353-0.05984.655414.0797.9543
250.771-0.2029-0.50571.11630.75110.82620.0684-0.0920.024-0.10670.1228-0.0276-0.03650.1194-0.1912-0.06030.0047-0.007-0.052-0.0235-0.024323.769246.720513.3071
260.9592-0.19630.3591.30460.10950.99790.0311-0.03690.0198-0.064-0.0247-0.1135-0.043-0.0789-0.0063-0.04940.02350.0038-0.0458-0.001-0.08412.728616.375113.4325
270.6684-0.3998-0.33960.90330.32980.93920.0629-0.17210.0996-0.04180.1815-0.11920.00850.1947-0.2445-0.0584-0.0002-0.0006-0.0312-0.0389-0.018424.88247.466419.7939
281.3424-0.25980.64421.6458-0.20030.5631-0.0257-0.13180.00720.0194-0.0185-0.0075-0.0429-0.1570.0443-0.06010.01540.0171-0.03830.0109-0.091.174515.154319.665
291.0545-0.3474-0.17421.28530.02581.29330.1128-0.09540.042-0.1340.0385-0.02930.00970.0905-0.1513-0.0465-0.01460.0034-0.046-0.0341-0.049824.945147.160112.6986
301.4165-0.5231-0.07361.77650.40941.3090.04780.01380.0609-0.1091-0.0341-0.1108-0.0684-0.0832-0.0137-0.05180.01370-0.06320.0059-0.06671.566915.845112.689
310.608-0.3019-0.14841.6480.49040.90680.0662-0.11060.081-0.01810.10990.03550.06780.1565-0.1761-0.07690.00110.0046-0.0409-0.0157-0.023320.786347.772917.9827
321.95440.21260.00040.5062-0.76012.51580.0831-0.08850.15250.0620.1195-0.1336-0.0098-0.1093-0.2026-0.06540.0204-0.0012-0.0627-0.0187-0.02936.616414.58217.551
331.4996-0.4817-0.06391.98190.05961.52570.118-0.07860.0211-0.11690.02040.1497-0.0838-0.0353-0.1384-0.07880.0021-0.0022-0.0739-0.0082-0.027316.794349.575913.3985
341.6623-1.0339-0.06030.66880.20951.15020.02830.00850.0882-0.05230.0905-0.29150.02030.1051-0.1188-0.04390.00140.0122-0.0467-0.0231-0.02679.769613.490813.7736
351.8624-0.3837-1.66822.6169-2.05533.76190.0291-0.32560.2844-0.03930.0693-0.23760.05060.249-0.0985-0.069-0.00910.05-0.0182-0.10180.01826.367653.181717.8391
361.24370.16291.59272.01292.12863.89060.0345-0.2257-0.15040.0149-0.18170.0535-0.1091-0.14190.1472-0.07520.0287-0.0156-0.01740.0268-0.0864-0.18259.497417.3342
370.7427-0.3732-0.40821.53540.58612.00880.0235-0.20120.01770.07330.1441-0.08490.07120.2058-0.1677-0.0945-0.01760.0054-0.0292-0.0521-0.012521.605948.986822.0068
381.438-0.77931.00791.5627-0.10961.57190.0126-0.10950.05340.12420.0328-0.0450.0566-0.2652-0.0454-0.0338-0.0317-0.0096-0.05130.0017-0.10774.43613.379622.0408
390.6111-0.3847-0.21.42560.44631.293-0.0167-0.0144-0.0306-0.06920.1203-0.0608-0.08140.094-0.1036-0.0644-0.00990.0153-0.0311-0.0315-0.005219.084153.284121.6764
401.9878-0.44580.7171.93420.51520.53490.01980.2007-0.0673-0.2923-0.098-0.1465-0.24130.01420.07820.01990.01560.0042-0.01550.0138-0.06026.523510.150813.9687
414.1766-3.90912.88153.726-2.51222.49510.0628-0.16280.2835-0.21040.1182-0.1410.05210.0145-0.1809-0.01290.0175-0.0156-0.00290.00160.003227.930843.205713.9727
423.6093-2.6084-2.29721.8971.55392.4156-0.2404-0.1314-0.1903-0.0440.0196-0.0443-0.0536-0.02970.2208-0.00860.03780.0228-0.0185-0.036-0.0092-1.094319.921214.3494
430.00610.0072-0.22160.0086-0.26288.07860.15740.0625-0.203-0.2771-0.04360.0848-0.42440.4396-0.1138-0.0138-0.070.08710.0299-0.10050.019222.156159.910724.1419
440.9638-0.3812.10760.1506-0.83314.60890.3378-0.229-0.29850.0894-0.3815-0.14160.2915-0.10280.0437-0.00530.0062-0.0285-0.0170.0384-0.00483.88332.527923.4826
450.28590.2823-0.05440.95450.06260.0876-0.0108-0.0282-0.0113-0.05780.0238-0.05170.00190.0075-0.01290.04220.0178-0.01340.0695-0.00240.018913.802331.151215.5947
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AA3434
2X-RAY DIFFRACTION1AA4141
3X-RAY DIFFRACTION1AA5454
4X-RAY DIFFRACTION1AA6666
5X-RAY DIFFRACTION1AA7777
6X-RAY DIFFRACTION1AA8181
7X-RAY DIFFRACTION1AA108108
8X-RAY DIFFRACTION1AA118118
9X-RAY DIFFRACTION1AA135135
10X-RAY DIFFRACTION1AA170170
11X-RAY DIFFRACTION1AA178178
12X-RAY DIFFRACTION1AA155155
13X-RAY DIFFRACTION2BB3434
14X-RAY DIFFRACTION2BB4141
15X-RAY DIFFRACTION2BB5454
16X-RAY DIFFRACTION2BB6666
17X-RAY DIFFRACTION2BB7777
18X-RAY DIFFRACTION2BB8181
19X-RAY DIFFRACTION2BB108108
20X-RAY DIFFRACTION2BB118118
21X-RAY DIFFRACTION2BB135135
22X-RAY DIFFRACTION2BB170170
23X-RAY DIFFRACTION2BB178178
24X-RAY DIFFRACTION2BB155155
25X-RAY DIFFRACTION3AA2727
26X-RAY DIFFRACTION3AA5858
27X-RAY DIFFRACTION3AA6868
28X-RAY DIFFRACTION3AA7979
29X-RAY DIFFRACTION3AA8686
30X-RAY DIFFRACTION3AA100100
31X-RAY DIFFRACTION3AA140140
32X-RAY DIFFRACTION3AA149149
33X-RAY DIFFRACTION3AA150150
34X-RAY DIFFRACTION3AA163163
35X-RAY DIFFRACTION3AA164164
36X-RAY DIFFRACTION3AA166166
37X-RAY DIFFRACTION3AA167167
38X-RAY DIFFRACTION3AA179179
39X-RAY DIFFRACTION3AA185185
40X-RAY DIFFRACTION3AA188188
41X-RAY DIFFRACTION3AA189189
42X-RAY DIFFRACTION3AA197197
43X-RAY DIFFRACTION3AA202202
44X-RAY DIFFRACTION4BB2727
45X-RAY DIFFRACTION4BB5858
46X-RAY DIFFRACTION4BB6868
47X-RAY DIFFRACTION4BB7979
48X-RAY DIFFRACTION4BB8686
49X-RAY DIFFRACTION4BB100100
50X-RAY DIFFRACTION4BB140140
51X-RAY DIFFRACTION4BB149149
52X-RAY DIFFRACTION4BB150150
53X-RAY DIFFRACTION4BB163163
54X-RAY DIFFRACTION4BB164164
55X-RAY DIFFRACTION4BB166166
56X-RAY DIFFRACTION4BB167167
57X-RAY DIFFRACTION4BB179179
58X-RAY DIFFRACTION4BB185185
59X-RAY DIFFRACTION4BB188188
60X-RAY DIFFRACTION4BB189189
61X-RAY DIFFRACTION4BB197197
62X-RAY DIFFRACTION4BB202202
63X-RAY DIFFRACTION5AA5959
64X-RAY DIFFRACTION5AA6565
65X-RAY DIFFRACTION5AA9595
66X-RAY DIFFRACTION5AA136136
67X-RAY DIFFRACTION5AA148148
68X-RAY DIFFRACTION5AA153153
69X-RAY DIFFRACTION5AA161161
70X-RAY DIFFRACTION6BB5959
71X-RAY DIFFRACTION6BB6565
72X-RAY DIFFRACTION6BB9595
73X-RAY DIFFRACTION6BB136136
74X-RAY DIFFRACTION6BB148148
75X-RAY DIFFRACTION6BB153153
76X-RAY DIFFRACTION6BB161161
77X-RAY DIFFRACTION7AA24 - 20524 - 205
78X-RAY DIFFRACTION8BB24 - 20724 - 207
79X-RAY DIFFRACTION9AC300
80X-RAY DIFFRACTION10BD300
81X-RAY DIFFRACTION11AA2424
82X-RAY DIFFRACTION11AA7676
83X-RAY DIFFRACTION11AA9898
84X-RAY DIFFRACTION11AA119119
85X-RAY DIFFRACTION11AA139139
86X-RAY DIFFRACTION11AA151151
87X-RAY DIFFRACTION11AA195195
88X-RAY DIFFRACTION12BB2424
89X-RAY DIFFRACTION12BB7676
90X-RAY DIFFRACTION12BB9898
91X-RAY DIFFRACTION12BB119119
92X-RAY DIFFRACTION12BB139139
93X-RAY DIFFRACTION12BB151151
94X-RAY DIFFRACTION12BB195195
95X-RAY DIFFRACTION13AA4040
96X-RAY DIFFRACTION13AA4444
97X-RAY DIFFRACTION13AA114114
98X-RAY DIFFRACTION13AA115115
99X-RAY DIFFRACTION13AA133133
100X-RAY DIFFRACTION13AA145145
101X-RAY DIFFRACTION14BB4040
102X-RAY DIFFRACTION14BB4444
103X-RAY DIFFRACTION14BB114114
104X-RAY DIFFRACTION14BB115115
105X-RAY DIFFRACTION14BB133133
106X-RAY DIFFRACTION14BB145145
107X-RAY DIFFRACTION15AA3030
108X-RAY DIFFRACTION15AA6262
109X-RAY DIFFRACTION15AA6969
110X-RAY DIFFRACTION15AA9191
111X-RAY DIFFRACTION15AA9999
112X-RAY DIFFRACTION15AA106106
113X-RAY DIFFRACTION15AA137137
114X-RAY DIFFRACTION15AA138138
115X-RAY DIFFRACTION15AA144144
116X-RAY DIFFRACTION15AA158158
117X-RAY DIFFRACTION15AA174174
118X-RAY DIFFRACTION15AA193193
119X-RAY DIFFRACTION15AA196196
120X-RAY DIFFRACTION15AA199199
121X-RAY DIFFRACTION16BB3030
122X-RAY DIFFRACTION16BB6262
123X-RAY DIFFRACTION16BB6969
124X-RAY DIFFRACTION16BB9191
125X-RAY DIFFRACTION16BB9999
126X-RAY DIFFRACTION16BB106106
127X-RAY DIFFRACTION16BB137137
128X-RAY DIFFRACTION16BB138138
129X-RAY DIFFRACTION16BB144144
130X-RAY DIFFRACTION16BB158158
131X-RAY DIFFRACTION16BB174174
132X-RAY DIFFRACTION16BB193193
133X-RAY DIFFRACTION16BB196196
134X-RAY DIFFRACTION16BB199199
135X-RAY DIFFRACTION17AA3838
136X-RAY DIFFRACTION17AA4343
137X-RAY DIFFRACTION17AA5555
138X-RAY DIFFRACTION17AA7070
139X-RAY DIFFRACTION17AA7171
140X-RAY DIFFRACTION17AA7272
141X-RAY DIFFRACTION17AA104104
142X-RAY DIFFRACTION17AA120120
143X-RAY DIFFRACTION17AA126126
144X-RAY DIFFRACTION17AA154154
145X-RAY DIFFRACTION17AA165165
146X-RAY DIFFRACTION17AA169169
147X-RAY DIFFRACTION17AA173173
148X-RAY DIFFRACTION17AA175175
149X-RAY DIFFRACTION17AA192192
150X-RAY DIFFRACTION17AA2525
151X-RAY DIFFRACTION18BB2525
152X-RAY DIFFRACTION18BB3838
153X-RAY DIFFRACTION18BB4343
154X-RAY DIFFRACTION18BB5555
155X-RAY DIFFRACTION18BB7070
156X-RAY DIFFRACTION18BB7171
157X-RAY DIFFRACTION18BB7272
158X-RAY DIFFRACTION18BB104104
159X-RAY DIFFRACTION18BB120120
160X-RAY DIFFRACTION18BB126126
161X-RAY DIFFRACTION18BB154154
162X-RAY DIFFRACTION18BB165165
163X-RAY DIFFRACTION18BB169169
164X-RAY DIFFRACTION18BB173173
165X-RAY DIFFRACTION18BB175175
166X-RAY DIFFRACTION18BB192192
167X-RAY DIFFRACTION19AA2626
168X-RAY DIFFRACTION19AA113113
169X-RAY DIFFRACTION19AA116116
170X-RAY DIFFRACTION19AA132132
171X-RAY DIFFRACTION19AA134134
172X-RAY DIFFRACTION19AA180180
173X-RAY DIFFRACTION19AA183183
174X-RAY DIFFRACTION19AA200200
175X-RAY DIFFRACTION20BB2626
176X-RAY DIFFRACTION20BB113113
177X-RAY DIFFRACTION20BB116116
178X-RAY DIFFRACTION20BB132132
179X-RAY DIFFRACTION20BB134134
180X-RAY DIFFRACTION20BB180180
181X-RAY DIFFRACTION20BB183183
182X-RAY DIFFRACTION20BB200200
183X-RAY DIFFRACTION21AA3232
184X-RAY DIFFRACTION21AA6060
185X-RAY DIFFRACTION21AA8080
186X-RAY DIFFRACTION21AA102102
187X-RAY DIFFRACTION21AA124124
188X-RAY DIFFRACTION21AA130130
189X-RAY DIFFRACTION21AA141141
190X-RAY DIFFRACTION21AA176176
191X-RAY DIFFRACTION22BB3232
192X-RAY DIFFRACTION22BB6060
193X-RAY DIFFRACTION22BB8080
194X-RAY DIFFRACTION22BB102102
195X-RAY DIFFRACTION22BB124124
196X-RAY DIFFRACTION22BB130130
197X-RAY DIFFRACTION22BB141141
198X-RAY DIFFRACTION22BB176176
199X-RAY DIFFRACTION23AA6363
200X-RAY DIFFRACTION23AA6464
201X-RAY DIFFRACTION23AA8282
202X-RAY DIFFRACTION23AA131131
203X-RAY DIFFRACTION23AA157157
204X-RAY DIFFRACTION23AA172172
205X-RAY DIFFRACTION23AA204204
206X-RAY DIFFRACTION23AA205205
207X-RAY DIFFRACTION24BB6363
208X-RAY DIFFRACTION24BB6464
209X-RAY DIFFRACTION24BB8282
210X-RAY DIFFRACTION24BB131131
211X-RAY DIFFRACTION24BB157157
212X-RAY DIFFRACTION24BB172172
213X-RAY DIFFRACTION24BB204204
214X-RAY DIFFRACTION24BB205205
215X-RAY DIFFRACTION25AA2828
216X-RAY DIFFRACTION25AA3636
217X-RAY DIFFRACTION25AA4646
218X-RAY DIFFRACTION25AA5252
219X-RAY DIFFRACTION25AA5656
220X-RAY DIFFRACTION25AA7878
221X-RAY DIFFRACTION25AA109109
222X-RAY DIFFRACTION25AA146146
223X-RAY DIFFRACTION25AA181181
224X-RAY DIFFRACTION25AA203203
225X-RAY DIFFRACTION26BB2828
226X-RAY DIFFRACTION26BB3636
227X-RAY DIFFRACTION26BB4646
228X-RAY DIFFRACTION26BB5252
229X-RAY DIFFRACTION26BB5656
230X-RAY DIFFRACTION26BB7878
231X-RAY DIFFRACTION26BB109109
232X-RAY DIFFRACTION26BB146146
233X-RAY DIFFRACTION26BB181181
234X-RAY DIFFRACTION26BB203203
235X-RAY DIFFRACTION27AA2929
236X-RAY DIFFRACTION27AA4949
237X-RAY DIFFRACTION27AA5151
238X-RAY DIFFRACTION27AA6767
239X-RAY DIFFRACTION27AA8383
240X-RAY DIFFRACTION27AA8888
241X-RAY DIFFRACTION27AA123123
242X-RAY DIFFRACTION28BB2929
243X-RAY DIFFRACTION28BB4949
244X-RAY DIFFRACTION28BB5151
245X-RAY DIFFRACTION28BB6767
246X-RAY DIFFRACTION28BB8383
247X-RAY DIFFRACTION28BB8888
248X-RAY DIFFRACTION28BB123123
249X-RAY DIFFRACTION29AA3131
250X-RAY DIFFRACTION29AA3333
251X-RAY DIFFRACTION29AA3939
252X-RAY DIFFRACTION29AA4747
253X-RAY DIFFRACTION29AA5353
254X-RAY DIFFRACTION29AA5757
255X-RAY DIFFRACTION29AA9696
256X-RAY DIFFRACTION29AA101101
257X-RAY DIFFRACTION29AA103103
258X-RAY DIFFRACTION29AA105105
259X-RAY DIFFRACTION29AA107107
260X-RAY DIFFRACTION29AA128128
261X-RAY DIFFRACTION29AA142142
262X-RAY DIFFRACTION29AA147147
263X-RAY DIFFRACTION29AA156156
264X-RAY DIFFRACTION29AA160160
265X-RAY DIFFRACTION29AA190190
266X-RAY DIFFRACTION29AA198198
267X-RAY DIFFRACTION30BB3131
268X-RAY DIFFRACTION30BB3333
269X-RAY DIFFRACTION30BB3939
270X-RAY DIFFRACTION30BB4747
271X-RAY DIFFRACTION30BB5353
272X-RAY DIFFRACTION30BB5757
273X-RAY DIFFRACTION30BB9696
274X-RAY DIFFRACTION30BB101101
275X-RAY DIFFRACTION30BB103103
276X-RAY DIFFRACTION30BB105105
277X-RAY DIFFRACTION30BB107107
278X-RAY DIFFRACTION30BB128128
279X-RAY DIFFRACTION30BB142142
280X-RAY DIFFRACTION30BB147147
281X-RAY DIFFRACTION30BB156156
282X-RAY DIFFRACTION30BB160160
283X-RAY DIFFRACTION30BB190190
284X-RAY DIFFRACTION30BB198198
285X-RAY DIFFRACTION31AA3535
286X-RAY DIFFRACTION31AA7373
287X-RAY DIFFRACTION31AA8484
288X-RAY DIFFRACTION31AA9090
289X-RAY DIFFRACTION31AA9292
290X-RAY DIFFRACTION31AA171171
291X-RAY DIFFRACTION31AA177177
292X-RAY DIFFRACTION31AA182182
293X-RAY DIFFRACTION32BB3535
294X-RAY DIFFRACTION32BB7373
295X-RAY DIFFRACTION32BB8484
296X-RAY DIFFRACTION32BB9090
297X-RAY DIFFRACTION32BB9292
298X-RAY DIFFRACTION32BB171171
299X-RAY DIFFRACTION32BB177177
300X-RAY DIFFRACTION32BB182182
301X-RAY DIFFRACTION33AA3737
302X-RAY DIFFRACTION33AA4848
303X-RAY DIFFRACTION33AA7474
304X-RAY DIFFRACTION33AA168168
305X-RAY DIFFRACTION33AA187187
306X-RAY DIFFRACTION33AA194194
307X-RAY DIFFRACTION34BB3737
308X-RAY DIFFRACTION34BB4848
309X-RAY DIFFRACTION34BB7474
310X-RAY DIFFRACTION34BB168168
311X-RAY DIFFRACTION34BB187187
312X-RAY DIFFRACTION34BB194194
313X-RAY DIFFRACTION35AA4242
314X-RAY DIFFRACTION35AA110110
315X-RAY DIFFRACTION35AA111111
316X-RAY DIFFRACTION35AA143143
317X-RAY DIFFRACTION35AA152152
318X-RAY DIFFRACTION36BB4242
319X-RAY DIFFRACTION36BB110110
320X-RAY DIFFRACTION36BB111111
321X-RAY DIFFRACTION36BB143143
322X-RAY DIFFRACTION36BB152152
323X-RAY DIFFRACTION37AA4545
324X-RAY DIFFRACTION37AA5050
325X-RAY DIFFRACTION37AA6161
326X-RAY DIFFRACTION37AA8585
327X-RAY DIFFRACTION37AA8989
328X-RAY DIFFRACTION37AA9393
329X-RAY DIFFRACTION37AA121121
330X-RAY DIFFRACTION37AA122122
331X-RAY DIFFRACTION37AA159159
332X-RAY DIFFRACTION37AA184184
333X-RAY DIFFRACTION37AA186186
334X-RAY DIFFRACTION38BB4545
335X-RAY DIFFRACTION38BB5050
336X-RAY DIFFRACTION38BB6161
337X-RAY DIFFRACTION38BB8585
338X-RAY DIFFRACTION38BB8989
339X-RAY DIFFRACTION38BB9393
340X-RAY DIFFRACTION38BB121121
341X-RAY DIFFRACTION38BB122122
342X-RAY DIFFRACTION38BB159159
343X-RAY DIFFRACTION38BB184184
344X-RAY DIFFRACTION38BB186186
345X-RAY DIFFRACTION39AA7575
346X-RAY DIFFRACTION39AA8787
347X-RAY DIFFRACTION39AA117117
348X-RAY DIFFRACTION39AA125125
349X-RAY DIFFRACTION39AA162162
350X-RAY DIFFRACTION39AA201201
351X-RAY DIFFRACTION40BB7575
352X-RAY DIFFRACTION40BB8787
353X-RAY DIFFRACTION40BB117117
354X-RAY DIFFRACTION40BB125125
355X-RAY DIFFRACTION40BB162162
356X-RAY DIFFRACTION40BB201201
357X-RAY DIFFRACTION40BB206206
358X-RAY DIFFRACTION40BB207207
359X-RAY DIFFRACTION41AA9494
360X-RAY DIFFRACTION41AA9797
361X-RAY DIFFRACTION41AA191191
362X-RAY DIFFRACTION42BB9494
363X-RAY DIFFRACTION42BB9797
364X-RAY DIFFRACTION42BB191191
365X-RAY DIFFRACTION43AA112112
366X-RAY DIFFRACTION43AA127127
367X-RAY DIFFRACTION43AA129129
368X-RAY DIFFRACTION44BB112112
369X-RAY DIFFRACTION44BB127127
370X-RAY DIFFRACTION44BB129129
371X-RAY DIFFRACTION45A - BE - F301 - 569

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