FSC-Q: a CryoEM map-to-atomic model quality validation based on the local Fourier shell correlation
Erney Ramírez-Aportela, David Maluenda, Yunior C. Fonseca, Pablo Conesa, R. Marabini, J. Bernard Heymann, J.M. Carazo, Carlos Óscar S. Sorzano
Abstract
In recent years, advances in cryoEM have dramatically increased the resolution of reconstructions and, with it, the number of solved atomic models. It is widely accepted that the quality of cryoEM maps varies locally; therefore, the evaluation of the maps-derived structural models must be done locally as well. In this article, a method for the local analysis of the map-to-model fit is presented. The algorithm uses a comparison of two local resolution maps. The first is the local FSC (Fourier shell correlation) between the full map and the model, while the second is calculated between the half maps normally used in typical single particle analysis workflows. We call the quality measure "FSC-Q", and it is a quantitative estimation of how much of the model is supported by the signal content of the map. Furthermore, we show that FSC-Q may be helpful to detect overfitting. It can be used to complement other methods, such as the Q-score method that estimates the resolvability of atoms.