Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.92 Å / Relative weight: 1
Reflection
Resolution: 1.55→56.88 Å / Num. obs: 38092 / % possible obs: 99.9 % / Redundancy: 12.3 % / Net I/σ(I): 23.9
Reflection shell
Resolution: 1.55→1.58 Å / Redundancy: 12.9 % / Mean I/σ(I) obs: 1.9 / % possible all: 99.8
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
Coot
0.7.1
modelbuilding
Refinement
Resolution: 1.55→56.88 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.943 / SU B: 1.567 / SU ML: 0.056 / Cross valid method: THROUGHOUT / ESU R: 0.074 / ESU R Free: 0.081 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21649
2007
5 %
RANDOM
Rwork
0.17331
-
-
-
obs
0.17546
38092
99.87 %
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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