Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9793 Å / Relative weight: 1
Reflection
Resolution: 2.3→50 Å / Num. obs: 4997 / % possible obs: 97.6 % / Redundancy: 7.5 % / Net I/σ(I): 61.3
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
dataprocessing
Coot
modelbuilding
Refinement
Resolution: 2.31→32.89 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.873 / SU B: 9.157 / SU ML: 0.222 / Cross valid method: THROUGHOUT / ESU R: 0.865 / ESU R Free: 0.31 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26912
231
4.6 %
RANDOM
Rwork
0.17038
-
-
-
obs
0.175
4753
97.34 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK