Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.66→50 Å / Num. obs: 77784 / % possible obs: 99.5 % / Redundancy: 7 % / Net I/σ(I): 16.3
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0189
refinement
iMOSFLM
datareduction
Aimless
datascaling
REFMAC
phasing
Refinement
Resolution: 1.66→47.29 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.954 / SU B: 2.307 / SU ML: 0.075 / Cross valid method: THROUGHOUT / ESU R: 0.096 / ESU R Free: 0.096 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21265
4044
4.9 %
RANDOM
Rwork
0.18058
-
-
-
obs
0.18221
77783
99.39 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK