Resolution: 1.7→15 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.952 / SU B: 3.886 / SU ML: 0.065 / Cross valid method: THROUGHOUT / ESU R: 0.088 / ESU R Free: 0.092 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. NO NCS RESTRAINTS WERE APPLIED DURING THE FINAL STAGES OF REFINEMENT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.212
2929
5.2 %
RANDOM
Rwork
0.178
-
-
-
obs
0.18
53757
96.8 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK