Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9793 Å / Relative weight: 1
Reflection
Resolution: 2.88→42 Å / Num. obs: 16296 / % possible obs: 99.9 % / Redundancy: 19.3 % / Net I/σ(I): 15.7
-
Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
iMOSFLM
datareduction
SCALA
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.88→41.99 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.901 / SU B: 6.806 / SU ML: 0.134 / Cross valid method: THROUGHOUT / ESU R: 0.278 / ESU R Free: 0.219 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21489
820
5 %
RANDOM
Rwork
0.19623
-
-
-
obs
0.19716
15461
99.8 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å