Data reference: 10.5281/zenodo.4446244 / Data set type: diffraction image data Details: Diffraction images used to solve the structures published in the article "Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases." Metadata reference: 10.5281/zenodo.4446244
Resolution: 1.13→76.44 Å / Cor.coef. Fo:Fc: 0.986 / Cor.coef. Fo:Fc free: 0.983 / SU B: 1.056 / SU ML: 0.021 / Cross valid method: THROUGHOUT / ESU R: 0.027 / ESU R Free: 0.027 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.14411
7133
5 %
RANDOM
Rwork
0.12222
-
-
-
obs
0.12332
136411
99.02 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK