Abstract

New image processing methodologies and algorithms have greatly contributed to the signi cant progress in three-dimensional electron microscopy (3DEM) of biological complexes we have seen over the last decades. Naturally, the availability of accurate procedures for the objective testing of new algorithms is a crucial requirement for the further advancement of the eld. A good and accepted testing work ow involves the generation of realistic 3DEM-like maps of biological macromolecules from which some measure of ground truth can be derived, ideally because their 3D atomic structure is already known. In this work we propose a very accurate generation of maps using atomic form factors for electron scattering. We thoroughly review current approaches in the eld, quantitatively demonstrating the bene ts of the new methodology. Additionally, we study a concrete example of the use of this approach for hypothesis testing in 3D Electron Microscopy.

Highlights

  • Knowledge of the 3D structure of macromolecules and their complexes is crucial for understanding their biological function

  • Three-dimensional Electron Microscopy (3DEM) addresses the problem of determining the structure of macromolecular complexes from projection images recorded by transmission electron microscopy [9, 29, 15]

  • In this paper we have introduced a new basis function (LEASF) for the conversion of atomic models into density volumes based on Electron Atomic Scattering Factors

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Summary

Introduction

Knowledge of the 3D structure of macromolecules and their complexes is crucial for understanding their biological function. At the level of image processing, these continuous improvements in resolution are due, among other reasons, to: increases in the number of particles processed; improvements at the level of automation of the data-collection instrument [34]; the introduction of new electron detectors; and, in general, the design of new algorithms extracting more information from each available micrograph [9, 29]. 3D model structures can be projected into 2D images and can be used, for example, to generate articial micrographs. The accuracy of these simulations, which should closely resemble experimental situations, is becoming critical as resolution is improved

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