Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.98 Å / Relative weight: 1
Reflection
Resolution: 2.27→19.64 Å / Num. obs: 26353 / % possible obs: 99.9 % / Redundancy: 7.5 % / Rsym value: 0.093 / Net I/σ(I): 16.3
Reflection shell
Resolution: 2.27→2.323 Å / Redundancy: 7.1 % / Mean I/σ(I) obs: 4.9 / Rsym value: 0.422 / % possible all: 99.6
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
iMOSFLM
datareduction
SCALA
datascaling
Auto-Rickshaw
phasing
Refinement
Resolution: 2.27→19.64 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.909 / SU B: 7.02 / SU ML: 0.172 / Cross valid method: THROUGHOUT / ESU R: 0.329 / ESU R Free: 0.232 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23757
984
3.7 %
RANDOM
Rwork
0.1769
-
-
-
obs
0.17926
25310
99.76 %
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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