Mass: 18.015 Da / Num. of mol.: 88 / 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: 2.59 Å3/Da / Density % sol: 52.5 %
Crystal grow
Temperature: 298 K / Method: vapor diffusion, sitting drop Details: Crystals of different forms were obtained under crystallization conditions varying - PEG 4K, isopropanol and 10mM Hepes pH 7-7.8 with protein concentration 19-28 mg/ml.
Resolution: 2.8→47.58 Å / Cor.coef. Fo:Fc: 0.908 / Cor.coef. Fo:Fc free: 0.871 / SU B: 20.914 / SU ML: 0.381 / Cross valid method: THROUGHOUT / ESU R Free: 0.406 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25884
1439
5 %
RANDOM
Rwork
0.22209
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obs
0.22393
27328
98.65 %
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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