Mass: 18.015 Da / Num. of mol.: 67 / 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 / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 4.37 Å3/Da / Density % sol: 72.06 %
Crystal grow
Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.1 M Bis-Tris (pH 6.5), 1.5 M ammonium sulfate and 0.1 M sodium chloride
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Data collection
Diffraction
Mean temperature: 100 K / Serial crystal experiment: N
Resolution: 2.5→30 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.914 / SU B: 7.802 / SU ML: 0.173 / Cross valid method: THROUGHOUT / ESU R: 0.264 / ESU R Free: 0.236 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26719
749
5.1 %
RANDOM
Rwork
0.21466
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obs
0.21723
14035
99.67 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å