Mass: 18.015 Da / Num. of mol.: 62 / 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: 2.01 Å3/Da / Density % sol: 38.73 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.66 M sodium citrate pH 7.5, 0.54 mM sodium azide, 0.3 mM dithiothreitol, 0.5 mM PJ34 1.1 M sodium citrate pH 7.5, 0.9 mM sodium azide, 0.5 mM dithiothreitol 0.5 mM PJ34
Resolution: 1.47→49.5 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.968 / SU B: 1.215 / SU ML: 0.046 / Cross valid method: THROUGHOUT / ESU R: 0.071 / ESU R Free: 0.068 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19195
1549
4.8 %
RANDOM
Rwork
0.17742
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obs
0.1781
30481
99.94 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å