Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.0725 Å / Relative weight: 1
Reflection
Resolution: 2.47→56.69 Å / Num. obs: 33896 / % possible obs: 96.8 % / Redundancy: 2.9 % / Net I/σ(I): 11.3
Reflection shell
Resolution: 2.47→2.6 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
SCALA
datascaling
Refinement
Resolution: 2.47→56.69 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.942 / SU B: 15.939 / SU ML: 0.173 / Cross valid method: THROUGHOUT / ESU R: 0.441 / ESU R Free: 0.252 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22027
1776
5 %
RANDOM
Rwork
0.16782
-
-
-
obs
0.17042
33896
96.08 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å