Mass: 18.015 Da / Num. of mol.: 96 / 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: 1.98 Å3/Da / Density % sol: 38.02 %
Crystal grow
Method: vapor diffusion, hanging drop / pH: 4.2 Details: Crystals of HEWL in the presence of the diruthernium compound (1:10 ratio) suitable for X-ray diffraction were grown at 293 K using the hanging drop vapour diffusion method, 1.0-1.2 mol L-1 ...Details: Crystals of HEWL in the presence of the diruthernium compound (1:10 ratio) suitable for X-ray diffraction were grown at 293 K using the hanging drop vapour diffusion method, 1.0-1.2 mol L-1 NaCl as a precipitating agent in 0.050 mol L-1 acetate buffer at pH 4.2 and protein concentration 15 mg mL-1. , VAPOR DIFFUSION, HANGING DROP
Resolution: 2.15→55.36 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.912 / SU B: 6.283 / SU ML: 0.161 / Cross valid method: THROUGHOUT / ESU R: 0.339 / ESU R Free: 0.238 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25431
308
4.7 %
RANDOM
Rwork
0.1888
-
-
-
all
0.211
6598
-
-
obs
0.19172
6290
98.74 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK