Mass: 18.015 Da / Num. of mol.: 42 / Source method: isolated from a natural source / Formula: H2O
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION
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Sample preparation
Crystal
Density Matthews: 3.5 Å3/Da / Density % sol: 64.84 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.4 Details: 15% (w/v) ammonium sulfate in 25 mM potassium acetate, pH 5.4, and 3 to 10 mM B-mercaptoethanol
Resolution: 2.89→14.97 Å / Cor.coef. Fo:Fc: 0.89 / Cor.coef. Fo:Fc free: 0.861 / SU B: 32.048 / SU ML: 0.274 / Cross valid method: THROUGHOUT / ESU R: 0.838 / ESU R Free: 0.38 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27764
1687
5.1 %
RANDOM
Rwork
0.22676
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obs
0.22931
31660
100 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK