Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.91 Å / Relative weight: 1
Reflection
Resolution: 1.7→36 Å / Num. obs: 13594 / % possible obs: 99.5 % / Redundancy: 9.4 % / Net I/σ(I): 22
Reflection shell
Resolution: 1.7→1.79 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0189
refinement
xia2
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Resolution: 1.7→62.05 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.917 / SU B: 3.543 / SU ML: 0.112 / Cross valid method: THROUGHOUT / ESU R: 0.132 / ESU R Free: 0.136 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27431
673
5 %
RANDOM
Rwork
0.21839
-
-
-
obs
0.22108
12897
99.33 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK