Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.01 Å / Relative weight: 1
Reflection
Resolution: 1.49→24.02 Å / Num. obs: 311879 / % possible obs: 99.99 % / Redundancy: 4.4 % / Net I/σ(I): 15.2
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
XDS
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 1.49→24.02 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.959 / SU B: 1.218 / SU ML: 0.046 / Cross valid method: THROUGHOUT / ESU R: 0.068 / ESU R Free: 0.069 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20195
3492
5 %
RANDOM
Rwork
0.17605
-
-
-
obs
0.17729
66767
99.88 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å