Mass: 18.015 Da / Num. of mol.: 106 / 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: 2.8 Å3/Da / Density % sol: 56 % / Description: NONE
Crystal grow
pH: 5.6 Details: THE RESERVOIR CONTAINED 0.9 M LITHIUM SULPHATE IN 100 MM BIS-TRIS PROPANE BUFFER (PH 5.6). THE PROTEIN CONCENTRATION USED WAS 3 MG ML-1.
Resolution: 2.6→147.69 Å / Cor.coef. Fo:Fc: 0.93 / Cor.coef. Fo:Fc free: 0.899 / SU B: 17.307 / SU ML: 0.357 / Cross valid method: THROUGHOUT / ESU R: 0.869 / ESU R Free: 0.367 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.29496
5020
5.1 %
RANDOM
Rwork
0.25497
-
-
-
obs
0.257
94032
97.18 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK