Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Dec 3, 2016
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97 Å / Relative weight: 1
Reflection
Resolution: 1.3→42.42 Å / Num. obs: 70662 / % possible obs: 98.71 % / Redundancy: 3.74 % / Net I/σ(I): 11.66
Reflection shell
Resolution: 1.3→1.346 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0232
refinement
XDS
datareduction
XDS
datascaling
MoRDa
phasing
Refinement
Resolution: 1.3→42.42 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.968 / SU B: 0.742 / SU ML: 0.031 / Cross valid method: THROUGHOUT / ESU R: 0.042 / ESU R Free: 0.044 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16892
3536
5 %
RANDOM
Rwork
0.14933
-
-
-
obs
0.1503
67137
98.7 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å