Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97929 Å / Relative weight: 1
Reflection
Resolution: 1.82→91.7 Å / Num. obs: 92995 / % possible obs: 98.2 % / Redundancy: 7.5 % / Net I/σ(I): 8.9
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0069
refinement
MOSFLM
datareduction
SCALA
datascaling
REFMAC
phasing
Refinement
Resolution: 1.91→75.16 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.944 / SU B: 4.796 / SU ML: 0.128 / Cross valid method: THROUGHOUT / ESU R: 0.136 / ESU R Free: 0.14 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24269
1039
1.3 %
RANDOM
Rwork
0.18874
-
-
-
obs
0.18945
79061
98.08 %
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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