Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97853 Å / Relative weight: 1
Reflection
Resolution: 1.76→50 Å / Num. obs: 37069 / % possible obs: 95.9 % / Redundancy: 6.5 % / Net I/σ(I): 2.545
Reflection shell
Highest resolution: 1.76 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
HKL-3000
datareduction
HKL-3000
datascaling
PHENIX
phasing
Refinement
Resolution: 1.76→30 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.952 / SU B: 2.088 / SU ML: 0.066 / Cross valid method: THROUGHOUT / ESU R: 0.099 / ESU R Free: 0.102 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21625
1008
5.1 %
RANDOM
Rwork
0.17968
-
-
-
obs
0.18159
18760
96.58 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å