Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.3 Å / Relative weight: 1
Reflection
Resolution: 1.6→50 Å / Num. obs: 78540 / % possible obs: 98 % / Redundancy: 5.8 % / Rsym value: 0.084 / Net I/σ(I): 20.1
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0107
refinement
HKL-2000
datareduction
HKL-2000
datascaling
MOLREP
phasing
Refinement
Resolution: 1.6→31.34 Å / Cor.coef. Fo:Fc: 0.979 / Cor.coef. Fo:Fc free: 0.965 / SU B: 4.096 / SU ML: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.104 / ESU R Free: 0.08 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17807
3941
5 %
RANDOM
Rwork
0.13327
-
-
-
obs
0.13548
74483
97.68 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å