Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.07 Å / Relative weight: 1
Reflection
Resolution: 2.45→58.6 Å / Num. obs: 20436 / % possible obs: 100 % / Redundancy: 6.9 % / Net I/σ(I): 3.2
Reflection shell
Resolution: 2.45→2.55 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
DIALS
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.45→58.6 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.914 / SU B: 20.439 / SU ML: 0.411 / Cross valid method: THROUGHOUT / ESU R Free: 0.366 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2855
971
4.8 %
RANDOM
Rwork
0.23765
-
-
-
obs
0.23999
19444
99.96 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å