Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.54 Å / Relative weight: 1
Reflection
Resolution: 2→53.01 Å / Num. obs: 18642 / % possible obs: 99.7 % / Redundancy: 19.8 % / Net I/σ(I): 70.5
Reflection shell
Resolution: 2→2.03 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
datareduction
HKL-2000
datascaling
ARP/wARP
8
modelbuilding
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2→53.01 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.903 / SU B: 9.651 / SU ML: 0.122 / Cross valid method: THROUGHOUT / ESU R: 0.287 / ESU R Free: 0.171 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27753
952
5.1 %
RANDOM
Rwork
0.1942
-
-
-
obs
0.19819
17685
99.67 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å