Resolution: 2.2→2.27 Å / Redundancy: 30.6 % / Mean I/σ(I) obs: 1.4 / Num. unique obs: 1285 / CC1/2: 0.812 / % possible all: 100
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0189
refinement
TRUNCATE
datareduction
Aimless
datascaling
SHELXDE
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.2→76.3 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.9 / SU B: 7.474 / SU ML: 0.185 / Cross valid method: THROUGHOUT / ESU R: 0.279 / ESU R Free: 0.226 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27284
726
4.8 %
RANDOM
Rwork
0.22672
-
-
-
obs
0.22882
14263
99.74 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å