Resolution: 1.7→28.33 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.965 / SU B: 2.229 / SU ML: 0.062 / Cross valid method: THROUGHOUT / ESU R: 0.013 / ESU R Free: 0.014 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT SIDE CHAINS WITH POOR ELECTRON DENSITY WERE MODELED WITH ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT SIDE CHAINS WITH POOR ELECTRON DENSITY WERE MODELED WITH LOWER OCCUPANCY. MULTIPLE CONFORMERS WERE MODELED WITH LOWER OCCUPANCY ADDING UP TO 1.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16093
1754
5 %
RANDOM
Rwork
0.13383
-
-
-
obs
0.13518
33299
99.38 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK