Mass: 18.015 Da / Num. of mol.: 116 / 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: 2.44 Å3/Da / Density % sol: 49.51 %
Crystal grow
Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 8.2 Details: Crystals were obtained by hanging drop vapor diffusion at 22 deg in droplets consisting of 0.2 uL protein and 0.2 uL of 1.4-1.6 M Na/KPO4 pH 8.2
Resolution: 2.23→57.58 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.946 / SU B: 10.171 / SU ML: 0.131 / Cross valid method: THROUGHOUT / ESU R: 0.239 / ESU R Free: 0.174 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20176
639
4.9 %
RANDOM
Rwork
0.18021
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obs
0.18125
12337
98.24 %
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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