Mass: 18.015 Da / Num. of mol.: 544 / 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: 48.78 %
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: 1.5→37.9 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.951 / SU B: 1.569 / SU ML: 0.057 / Cross valid method: THROUGHOUT / ESU R: 0.076 / ESU R Free: 0.079 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21535
3698
5 %
RANDOM
Rwork
0.18338
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obs
0.18501
69982
97.09 %
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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