Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9794 Å / Relative weight: 1
Reflection
Resolution: 2.2→30 Å / Num. obs: 28819 / % possible obs: 99.7 % / Redundancy: 10.5 % / Net I/σ(I): 55.9
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
Coot
modelbuilding
HKL-2000
dataprocessing
Refinement
Resolution: 2.2→29.56 Å / SU B: 4.855 / SU ML: 0.126 / Cross valid method: THROUGHOUT / ESU R: 0.281 / ESU R Free: 0.203 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22606
749
5.1 %
RANDOM
Rwork
0.18689
-
-
-
obs
0.18885
13808
99.55 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK