Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.00004 Å / Relative weight: 1
Reflection
Resolution: 1.7→30 Å / Num. obs: 23797 / % possible obs: 99.8 % / Redundancy: 3.7 % / Rmerge(I) obs: 0.046 / Net I/σ(I): 38.6
Reflection shell
Resolution: 1.7→1.76 Å / Rmerge(I) obs: 0.278
-
Processing
Software
Name
Version
Classification
REFMAC
5.5.0109
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.7→30 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.952 / SU B: 3.263 / SU ML: 0.055 / Cross valid method: THROUGHOUT / ESU R: 0.094 / ESU R Free: 0.095 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20347
1215
5.1 %
RANDOM
Rwork
0.17013
-
-
-
obs
0.17184
22518
99.6 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å