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Acta Crystallogr A Found Adv. 2016 Nov 1;72(Pt 6):667-672. Epub 2016 Oct 3.

Residue-based scattering factors.

Author information

1
Mathematics Department, SUNY Buffalo State, 1300 Elmwood Avenue, Buffalo, NY 14222, USA.

Abstract

A glob is defined as a group of atoms in the crystal which can be chosen in various ways. Globs themselves can be used as scattering elements in the theory of structure determination, just as atoms are used at present. In this paper, amino-acid residues are chosen to form globs and empirical formulas for residue-based scattering factors have been developed.

KEYWORDS:

X-ray diffraction; ab initio structure determination; amino-acid residues; macromolecular crystallography; residue-based scattering factors

PMID:
27809206
DOI:
10.1107/S2053273316012055
[Indexed for MEDLINE]

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