Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9 Å / Relative weight: 1
Reflection
Resolution: 1.2→50 Å / Num. obs: 37167 / % possible obs: 97.6 % / Redundancy: 3.66 % / Rmerge(I) obs: 0.058 / Net I/σ(I): 20.4
Reflection shell
Resolution: 1.2→1.24 Å / % possible all: 97.5
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0131
refinement
HKL-2000
datareduction
Coot
modelbuilding
PHASER
phasing
Refinement
Resolution: 1.2→50 Å / Cor.coef. Fo:Fc: 0.982 / Cor.coef. Fo:Fc free: 0.971 / SU B: 1.429 / SU ML: 0.029 / Cross valid method: THROUGHOUT / ESU R: 0.039 / ESU R Free: 0.042 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16824
1804
4.9 %
RANDOM
Rwork
0.12141
-
-
-
obs
0.12365
35357
97.6 %
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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