Mass: 18.015 Da / Num. of mol.: 294 / 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: 2.48 Å3/Da / Density % sol: 50.34 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 9 Details: 100 mM CHES 12-16% PEG 5000 200 mM NMe4Cl 10 mM folinic acid 10 mM TDP-Fuc3N
Resolution: 2.2→48.09 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.885 / SU B: 8.743 / SU ML: 0.209 / Cross valid method: THROUGHOUT / ESU R: 0.302 / ESU R Free: 0.242 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27083
2366
5.1 %
RANDOM
Rwork
0.20604
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obs
0.20931
44292
97.27 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å