Mass: 18.015 Da / Num. of mol.: 291 / 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: 2.68 Å3/Da / Density % sol: 54.05 %
Crystal grow
Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 50 mM magnesium sulfate hydrate, 50 mM HEPES sodium, and 1.6 M lithium sulfate monohydrate
Method to determine structure: MAD / Resolution: 2.27→50 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.908 / SU B: 7.4 / SU ML: 0.178 / Cross valid method: THROUGHOUT / ESU R: 0.264 / ESU R Free: 0.227 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26313
2536
5 %
RANDOM
Rwork
0.20548
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obs
0.20845
48510
97.47 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å