Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Oct 16, 2015
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.98 Å / Relative weight: 1
Reflection
Resolution: 2.75→110.81 Å / Num. obs: 58162 / % possible obs: 98.4 % / Redundancy: 2 % / Net I/σ(I): 4.5
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
HKL-3000
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 2.75→110.81 Å / Cor.coef. Fo:Fc: 0.907 / Cor.coef. Fo:Fc free: 0.868 / SU B: 15.269 / SU ML: 0.3 / Cross valid method: THROUGHOUT / ESU R Free: 0.369 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25414
2886
5 %
RANDOM
Rwork
0.21598
-
-
-
obs
0.21791
55254
98.34 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å