Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.12→30 Å / Num. obs: 121473 / % possible obs: 99.8 % / Redundancy: 4.3 % / Net I/σ(I): 26.12
Reflection shell
Resolution: 2.12→2.2 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0230
refinement
HKL-2000
datareduction
HKL-2000
datascaling
MOLREP
phasing
Refinement
Resolution: 2.12→29.96 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.901 / SU B: 5.306 / SU ML: 0.141 / Cross valid method: THROUGHOUT / ESU R: 0.24 / ESU R Free: 0.205 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25071
6128
5.1 %
RANDOM
Rwork
0.19194
-
-
-
obs
0.19489
114970
99.54 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å