Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.93 Å / Relative weight: 1
Reflection
Resolution: 1.61→25.59 Å / Num. obs: 45732 / % possible obs: 99.9 % / Redundancy: 5.6 % / Net I/σ(I): 7.2
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
HKL-2000
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 1.61→25.59 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.957 / SU B: 4.126 / SU ML: 0.061 / Cross valid method: THROUGHOUT / ESU R: 0.101 / ESU R Free: 0.082 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18654
2255
4.8 %
RANDOM
Rwork
0.1336
-
-
-
obs
0.13611
44357
99.97 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å