Mass: 18.015 Da / Num. of mol.: 26 / 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: 2.95 Å3/Da / Density % sol: 58.33 %
Crystal grow
Temperature: 300 K / Method: vapor diffusion, sitting drop Details: Protein: 12.6 mg/ml, 0.5 M NaCl, 10 mM Tris pH 8.3, 1 mM TCEP Crystallization condition: Classics II D4 (Qiagen), 0.1 M Citric acid (pH 3.5) and 25% (w/v) PEG 3350
Resolution: 2.3→30 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.944 / SU B: 40.633 / SU ML: 0.361 / Cross valid method: THROUGHOUT / ESU R: 0.3 / ESU R Free: 0.245 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27907
974
4.9 %
RANDOM
Rwork
0.22784
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obs
0.23031
19031
98.43 %
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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