Mass: 18.015 Da / Num. of mol.: 149 / 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: 2.03 Å3/Da / Density % sol: 39.5 % / Description: NONE
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 2-10% (M/V) NACL IN 0.1 M ACETATE BUFFER PH 4.5. PROTEIN STOCK CONCENTRATION OF 50 MG/ML. HANGING DROP VAPOR DIFFUSION METHOD, 293K
Resolution: 1.67→56.52 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.946 / SU B: 3.651 / SU ML: 0.067 / Cross valid method: THROUGHOUT / ESU R: 0.102 / ESU R Free: 0.105 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21153
723
5 %
RANDOM
Rwork
0.16575
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obs
0.16794
13671
99.87 %
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Solvent computation
Ion probe radii: 1 Å / Shrinkage radii: 1 Å / VDW probe radii: 1.1 Å / Solvent model: MASK