Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.873 Å / Relative weight: 1
Reflection
Resolution: 1.44→41 Å / Num. obs: 41176 / % possible obs: 98.1 % / Redundancy: 5.37 % / Net I/σ(I): 10.93
Reflection shell
Resolution: 1.44→1.58 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0218
refinement
XDS
datareduction
XSCALE
datascaling
REFMAC
phasing
Refinement
Resolution: 1.44→41 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.953 / SU B: 1.578 / SU ML: 0.058 / Cross valid method: THROUGHOUT / ESU R: 0.073 / ESU R Free: 0.072 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20979
2164
5 %
RANDOM
Rwork
0.18821
-
-
-
obs
0.18932
41176
98.14 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å