Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Feb 13, 2018
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.826 Å / Relative weight: 1
Reflection
Resolution: 1.15→41.06 Å / Num. obs: 81956 / % possible obs: 94.9 % / Redundancy: 3.26 % / Net I/σ(I): 11.39
Reflection shell
Resolution: 1.15→1.19 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0218
refinement
XDS
datareduction
XSCALE
datascaling
REFMAC
phasing
Refinement
Resolution: 1.15→41.06 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.954 / SU B: 3.422 / SU ML: 0.062 / Cross valid method: THROUGHOUT / ESU R: 0.059 / ESU R Free: 0.055 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26841
3937
4.8 %
RANDOM
Rwork
0.24251
-
-
-
obs
0.2437
77585
94.42 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å