Mass: 18.015 Da / Num. of mol.: 1092 / Source method: isolated from a natural source / Formula: H2O
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Details
Sequence details
CONTIG 00226 OF WHOLE GENOME SHOTGUN SEQUENCE ASSEMBLY OF PICHIA PASTORIS DSMZ70382
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.74 Å3/Da / Density % sol: 55.08 %
Crystal grow
Temperature: 277 K Details: 100 MM MAGNESIUMCHLORIDE, 100 MM SODIUM CHLORIDE, 100 MM SODIUMCITRATE PH 3.5, 12% PEG 4000, 5 MM N-ACETYLGLUCOSAMINE, 5 MM CALCIUMCHLORIDE, 277 K
Resolution: 1.66→19.84 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.933 / SU B: 1.535 / SU ML: 0.052 / Cross valid method: THROUGHOUT / ESU R: 0.079 / ESU R Free: 0.082 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS AND U VALUES REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20206
2084
1.5 %
RANDOM
Rwork
0.17073
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obs
0.17119
135716
99.46 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK