Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97925 Å / Relative weight: 1
Reflection
Resolution: 2.4→50 Å / Num. obs: 126287 / % possible obs: 99.66 % / Redundancy: 12.8 % / Rmerge(I) obs: 0.155 / Net I/σ(I): 23.6
Reflection shell
Resolution: 2.4→2.49 Å / Χ2: 0.812 / % possible all: 98.61
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
HKL-2000
datacollection
HKL-2000
datascaling
PHASER
phasing
Refinement
Resolution: 2.4→50 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.7 / SU B: 8.24 / SU ML: 0.185 / Cross valid method: THROUGHOUT / ESU R: 0.463 / ESU R Free: 0.276 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.251
6872
5.2 %
RANDOM
Rwork
0.184
-
-
-
obs
0.188
126287
99.7 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å