Mass: 18.015 Da / Num. of mol.: 125 / 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: 2.06 Å3/Da / Density % sol: 40.37 % / 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: 1.77→27.26 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.942 / SU B: 2.551 / SU ML: 0.083 / Cross valid method: THROUGHOUT / ESU R: 0.129 / ESU R Free: 0.124 Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22198
599
4.8 %
RANDOM
Rwork
0.18099
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obs
0.183
11793
99.9 %
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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