Mass: 18.015 Da / Num. of mol.: 25 / Source method: isolated from a natural source / Formula: H2O
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.53 Å3/Da / Density % sol: 44.9 %
Crystal grow
Method: vapor diffusion, hanging drop Details: HANGING DROP METHOD WITH PRECIPITATION SOLUTION CONTAINING LITHIUM SULPHATE (2 M) AND AMMONIUM SULPHATE (3.5 M) IN SODIUM CITRATE BUFFER (1.5M, PH 6.5).
Resolution: 2.4→47.57 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.907 / SU B: 10.227 / SU ML: 0.218 / Cross valid method: THROUGHOUT / ESU R: 0.388 / ESU R Free: 0.266 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.RESIDUES 100-101 ARE DISORDERED AND HAVE NOT BEEN MODELLED.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.266
236
4.7 %
RANDOM
Rwork
0.222
-
-
-
obs
0.224
4785
99.6 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK