Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 3→50 Å / Num. obs: 62940 / % possible obs: 98.9 % / Redundancy: 3.7 % / Net I/σ(I): 17.3
Reflection shell
Resolution: 3→3.12 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.01→50 Å / Cor.coef. Fo:Fc: 0.931 / Cor.coef. Fo:Fc free: 0.923 / SU B: 18.857 / SU ML: 0.325 / Cross valid method: THROUGHOUT / ESU R Free: 0.376 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24153
3188
5.1 %
RANDOM
Rwork
0.21328
-
-
-
obs
0.21474
59748
98.88 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å