Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.8 Å / Relative weight: 1
Reflection
Resolution: 1.8→14.5 Å / Num. obs: 10691 / % possible obs: 99.65 % / Redundancy: 7.9 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 11.1
Reflection shell
Resolution: 1.8→4.8 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
CrysalisPro
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Resolution: 1.8→14.5 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.919 / SU B: 2.204 / SU ML: 0.071 / Cross valid method: THROUGHOUT / ESU R: 0.129 / ESU R Free: 0.121 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20418
536
4.8 %
RANDOM
Rwork
0.16552
-
-
-
obs
0.16733
10691
99.65 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å