Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9 Å / Relative weight: 1
Reflection
Resolution: 1.4→50 Å / Num. obs: 23585 / % possible obs: 97.8 % / Redundancy: 3.61 % / Rsym value: 0.056 / Net I/σ(I): 22.6
Reflection shell
Resolution: 1.4→1.45 Å / Mean I/σ(I) obs: 2.4 / % possible all: 95.5
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0131
refinement
HKL-2000
datareduction
Coot
modelbuilding
PHASER
phasing
Refinement
Resolution: 1.4→50 Å / Cor.coef. Fo:Fc: 0.984 / Cor.coef. Fo:Fc free: 0.968 / SU B: 3.658 / SU ML: 0.061 / Cross valid method: THROUGHOUT / ESU R: 0.073 / ESU R Free: 0.07 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18931
1200
5.1 %
RANDOM
Rwork
0.12814
-
-
-
obs
0.13147
22308
97.39 %
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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