Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.987 Å / Relative weight: 1
Reflection
Resolution: 1.75→25 Å / Num. obs: 64060 / % possible obs: 99.48 % / Redundancy: 6.9 % / Net I/σ(I): 6.2
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
HKL-2000
datascaling
PHENIX
modelbuilding
Coot
modelbuilding
Refinement
Resolution: 1.75→25 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.944 / SU B: 2.142 / SU ML: 0.07 / Cross valid method: THROUGHOUT / ESU R: 0.116 / ESU R Free: 0.108 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21229
3232
5.1 %
RANDOM
Rwork
0.18582
-
-
-
obs
0.18717
60530
99.48 %
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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: BABINET MODEL WITH MASK