Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97934 Å / Relative weight: 1
Reflection
Resolution: 2.1→50 Å / Num. obs: 165620 / % possible obs: 99.5 % / Redundancy: 6.9 % / Net I/σ(I): 39.3
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
dataprocessing
HKL-2000
datascaling
MOLREP
phasing
Refinement
Resolution: 2.1→50 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.943 / SU B: 4.877 / SU ML: 0.123 / Cross valid method: THROUGHOUT / ESU R: 0.152 / ESU R Free: 0.15 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24297
8315
5 %
RANDOM
Rwork
0.20034
-
-
-
obs
0.20247
157003
98.91 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK