Mass: 18.015 Da / Num. of mol.: 525 / 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: 2.84 Å3/Da / Density % sol: 56.74 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 2.0 M ammonium sulfate, 0.2 M potassium sodium tartrate, and 0.1 M sodium citrate (pH 5.6)
Resolution: 1.55→36.08 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.949 / SU B: 1.261 / SU ML: 0.047 / Cross valid method: THROUGHOUT / ESU R: 0.079 / ESU R Free: 0.075 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21125
4096
5 %
RANDOM
Rwork
0.19825
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obs
0.19892
77602
98.93 %
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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