Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9168 Å / Relative weight: 1
Reflection
Resolution: 1.1→42.54 Å / Num. obs: 53312 / % possible obs: 99.8 % / Redundancy: 12.8 % / Net I/σ(I): 26.1
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
xia2
datareduction
PHASER
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.1→40 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.96 / SU B: 0.603 / SU ML: 0.014 / Cross valid method: THROUGHOUT / ESU R: 0.027 / ESU R Free: 0.029 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16899
2672
5 %
RANDOM
Rwork
0.13876
-
-
-
obs
0.14026
50569
99.65 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å