Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.0725 Å / Relative weight: 1
Reflection
Resolution: 2.05→57.4 Å / Num. obs: 63093 / % possible obs: 98.8 % / Redundancy: 3.4 % / Net I/σ(I): 14.3
Reflection shell
Resolution: 2.05→2.16 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
SCALA
datascaling
Refinement
Resolution: 2.05→57.4 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.959 / SU B: 10.877 / SU ML: 0.142 / Cross valid method: THROUGHOUT / ESU R: 0.173 / ESU R Free: 0.149 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20844
3190
5.1 %
RANDOM
Rwork
0.17594
-
-
-
obs
0.17755
59902
98.65 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å