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Figure 1
Overview of the FSC approach for estimating the variability of structural ensembles. Firstly, multiple runs of ab initio modelling, shown here for lysozyme, are performed to generate an ensemble of models from the given scattering intensity profile I(s) (s = 4πsinθ/λ, where 2θ is the scattering angle and λ is the radiation wavelength). The reconstructed bead or dummy-residue models are then structurally aligned and their pairwise FSC functions are computed. The average of all pairwise FSC functions is used to determine the variability estimate Δens as 2π/sens, where sens is the momentum-transfer value at which the average FSC falls below 0.5. The corresponding resolution is estimated based on the variability using a linear regression model.

IUCrJ
Volume 3| Part 6| November 2016| Pages 440-447
ISSN: 2052-2525
https://doi.org/10.1107/S2052252516016018