Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9 Å / Relative weight: 1
Reflection
Resolution: 1.26→22 Å / Num. obs: 28368 / % possible obs: 93.7 % / Redundancy: 5 % / Net I/σ(I): 3
-
Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
HKL-2000
datareduction
SCALEPACK
datascaling
MOLREP
phasing
Refinement
Resolution: 1.26→21.76 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.939 / SU B: 0.802 / SU ML: 0.035 / Cross valid method: THROUGHOUT / ESU R: 0.061 / ESU R Free: 0.064 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22334
1483
5 %
RANDOM
Rwork
0.19275
-
-
-
obs
0.19424
28368
93.69 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å