Review demonstrates aspherical electron density modeling in macromolecular crystallography, highlighting improved precision at atomic resolutions.
In the simplest approach and at low resolution, the electron density of an atom can be approximated by a sphere. However, the resolutions currently achieved in X-ray macromolecular crystallography reach atomic resolutions, where a more sophisticated approach is inevitable. This review summarizes the available electron density and scattering factor models and their applications with emphasis on the transferable aspherical atom model (TAAM).
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Kulik et al. (2022) studied this question.
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