Resolution: 2.7→47.2 Å / Num. obs: 6084 / % possible obs: 99.5 % / Redundancy: 8.9 % / Rsym value: 0.052 / Net I/σ(I): 21
Reflection shell
Highest resolution: 2.7 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
HKL-2000
datareduction
SCALA
datascaling
AutoSol
phasing
Refinement
Method to determine structure: MAD / Resolution: 2.7→30 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.924 / SU B: 10.859 / SU ML: 0.228 / Cross valid method: THROUGHOUT / ESU R: 0.477 / ESU R Free: 0.332 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27821
327
5.4 %
RANDOM
Rwork
0.20009
-
-
-
obs
0.20429
5722
99.12 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å