Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.9→50 Å / Num. obs: 94014 / % possible obs: 94.4 % / Redundancy: 2.6 % / Net I/σ(I): 9.2
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
iMOSFLM
datareduction
Aimless
datascaling
REFMAC
phasing
Refinement
Resolution: 1.92→44.8 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.926 / SU B: 3.814 / SU ML: 0.111 / Cross valid method: THROUGHOUT / ESU R: 0.169 / ESU R Free: 0.154 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.228
4960
5 %
RANDOM
Rwork
0.18397
-
-
-
obs
0.18621
94014
94.38 %
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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