Mass: 18.015 Da / Num. of mol.: 22 / 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: 4.51 Å3/Da / Density % sol: 72.74 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 1,6 M ammonium sulfate, 0.1 M HEPES, 0.1 M sodium chloride, 0.5 M NADH, 0.15 M FAD. anaerobic crystallization. 0.5 uM XiaP (protein, reductase)
Resolution: 2.9→15 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.949 / SU B: 22.603 / SU ML: 0.184 / Cross valid method: THROUGHOUT / ESU R Free: 0.256 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20199
887
5 %
RANDOM
Rwork
0.17359
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obs
0.17504
16846
95.42 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å