Resolution: 1.8→50 Å / Num. obs: 30871 / % possible obs: 99.5 % / Redundancy: 6.5 % / Rmerge(I) obs: 0.081 / Net I/σ(I): 24
Reflection shell
Rmerge(I) obs: 0.395
-
Processing
Software
Name
Version
Classification
REFMAC
5.2.0005
refinement
MOLREP
datareduction
SCALEPACK
datascaling
SOLVE
phasing
Refinement
Resolution: 1.8→31.93 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.927 / SU B: 2.404 / SU ML: 0.078 / Cross valid method: THROUGHOUT / ESU R: 0.138 / ESU R Free: 0.126 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21134
1567
5.1 %
RANDOM
Rwork
0.17586
-
-
-
obs
0.1777
29243
99.27 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å