Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.987 Å / Relative weight: 1
Reflection
Resolution: 1.6→28.56 Å / Num. obs: 75091 / % possible obs: 99.65 % / Redundancy: 10.8 % / Net I/σ(I): 19.8
-
Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
PHENIX
datareduction
HKL-3000
datascaling
Coot
phasing
Refinement
Resolution: 1.6→28.56 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.959 / SU B: 0.97 / SU ML: 0.035 / Cross valid method: THROUGHOUT / ESU R: 0.059 / ESU R Free: 0.06 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18217
2001
2.6 %
RANDOM
Rwork
0.16337
-
-
-
obs
0.16386
75091
99.65 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK