Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.99→50 Å / Num. obs: 77368 / % possible obs: 100 % / Redundancy: 7.5 % / Net I/σ(I): 30
-
Processing
Software
Name
Version
Classification
REFMAC
5.5.0066
refinement
PHENIX
refinement
Refinement
Resolution: 2→29.09 Å / Cor.coef. Fo:Fc: 0.921 / Cor.coef. Fo:Fc free: 0.903 / SU B: 3.33 / SU ML: 0.092 / Cross valid method: THROUGHOUT / ESU R: 0.164 / 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
0.22735
3577
5 %
RANDOM
Rwork
0.19309
-
-
-
obs
0.1948
67804
93.39 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK