Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.31 Å / Relative weight: 1
Reflection
Resolution: 1.6→19.29 Å / Num. all: 13066 / Num. obs: 13066 / % possible obs: 98.93 % / Redundancy: 2287 % / Net I/σ(I): 10
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0069
refinement
CrystFEL
datareduction
CrystFEL
datascaling
Refinement
Resolution: 1.6→19.29 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.87 / SU B: 4.059 / SU ML: 0.135 / Cross valid method: THROUGHOUT / ESU R: 0.185 / ESU R Free: 0.188 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.37388
658
4.8 %
RANDOM
Rwork
0.28943
-
-
-
obs
0.29322
13066
98.93 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å