Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.91841 Å / Relative weight: 1
Reflection
Resolution: 1.95→47.6 Å / Num. obs: 77771 / % possible obs: 99.9 % / Redundancy: 5 % / Net I/σ(I): 9.2
Reflection shell
Resolution: 1.95→2 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0230
refinement
XDS
datareduction
XSCALE
datascaling
SHARP
phasing
Refinement
Resolution: 1.95→47.63 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.934 / SU B: 9.237 / SU ML: 0.14 / Cross valid method: THROUGHOUT / ESU R: 0.16 / ESU R Free: 0.151 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22613
3889
5 %
RANDOM
Rwork
0.17811
-
-
-
obs
0.18048
73882
99.85 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK