Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9793 Å / Relative weight: 1
Reflection
Resolution: 1.78→46.26 Å / Num. obs: 23591 / % possible obs: 96.63 % / Redundancy: 3.9 % / Net I/σ(I): 22.81
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
DENZO
datareduction
HKL-2000
datascaling
PHASER
phasing
Refinement
Resolution: 1.78→46.26 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.95 / SU B: 5.833 / SU ML: 0.09 / Cross valid method: THROUGHOUT / ESU R: 0.125 / ESU R Free: 0.123 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21806
1270
5.1 %
RANDOM
Rwork
0.17419
-
-
-
obs
0.17652
23591
96.63 %
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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