Mass: 18.015 Da / Num. of mol.: 445 / 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: 2.09 Å3/Da / Density % sol: 41.28 %
Crystal grow
Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: protein in 10 mM Bis-Tris, 500 mM sodium chloride, 10% glycerol, 5 mM DTT, 10 mM D-glucose, reservoir: 0.17 M sodium acetate, 0.085 M Tris-HCl, 8.5 25.5% w/v PEG4000, 15% w/v glycerol, ...Details: protein in 10 mM Bis-Tris, 500 mM sodium chloride, 10% glycerol, 5 mM DTT, 10 mM D-glucose, reservoir: 0.17 M sodium acetate, 0.085 M Tris-HCl, 8.5 25.5% w/v PEG4000, 15% w/v glycerol, cryoprotectant = reservoir, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution: 1.8→50 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.952 / SU B: 3.578 / SU ML: 0.108 / Cross valid method: THROUGHOUT / ESU R: 0.13 / ESU R Free: 0.131 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22271
2750
3 %
RANDOM
Rwork
0.16999
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obs
0.17168
87918
97.7 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK