Mass: 18.015 Da / Num. of mol.: 337 / 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: 2.4 Å3/Da / Density % sol: 48.73 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 5-7 % PEG 8000, 100 mM HEPPS, 200 mM sodium chloride, 200 mM potassium chloride, 5 mM TDP, 5 mM N5-THF
Resolution: 1.8→34.97 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.919 / SU B: 3.815 / SU ML: 0.111 / Cross valid method: THROUGHOUT / ESU R: 0.145 / ESU R Free: 0.149 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26455
2131
5 %
RANDOM
Rwork
0.20441
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obs
0.20737
40092
95.36 %
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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