Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 8, 2015
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.55 Å / Relative weight: 1
Reflection
Resolution: 2.293→38.44 Å / Num. obs: 5420 / % possible obs: 85 % / Redundancy: 5.4 % / Rrim(I) all: 0.027 / Net I/σ(I): 31.14
Reflection shell
Highest resolution: 2.293 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0155
refinement
XDS
datareduction
XDS
datascaling
CRANK2
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.293→38.44 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.908 / SU B: 13.118 / SU ML: 0.148 / Cross valid method: THROUGHOUT / ESU R: 0.331 / ESU R Free: 0.253 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26186
303
10.1 %
RANDOM
Rwork
0.21697
-
-
-
obs
0.22149
2706
85.48 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1 Å