Mass: 18.015 Da / Num. of mol.: 265 / 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: 1.97 Å3/Da / Density % sol: 37.6 %
Crystal grow
Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 9.0 mg/mL protein in 0.01 M Tris-HCl, pH 8.3 against screen PACT (B5), 0.1 M MIB buffer, pH 8.0, 25% w/v PEG1500
Method to determine structure: SAD / Resolution: 1.75→29.78 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.927 / SU B: 4.646 / SU ML: 0.131 / Cross valid method: THROUGHOUT / ESU R: 0.133 / ESU R Free: 0.133 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23806
1240
4.9 %
RANDOM
Rwork
0.18787
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obs
0.1903
24120
96.69 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å