On the interpretation and use of 〈|E|²〉(d*) profiles

Authors: Morris, Richard J.; Blanc, Eric; Bricogne, Gérard

Source: Acta Crystallographica Section D, Volume 60, Number 2, 1 February 2004 , pp. 227-240(14)

Publisher: Blackwell Publishing

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Abstract:

Profiles of squared normalized structure factors, 〈|E|²〉(d*), have been computed for a large number of proteins and nucleic acids. These are interpreted in terms of their underlying structural features. It is also shown that the `solvent dip' at around 6.3 Å resolution is to a large extent a protein secondary-structure effect that is enhanced by the water structure. A hierarchical classification of protein structures based on their 〈|E|²〉(d*) profiles is briefly outlined, together with the use of 〈|E|²〉(d*) profiles as an improvement over Wilson absolute scale estimation and as a novel solvent-modelling method.

Keywords: 〈; E; 2〉 (d*) profiles; normalized structure factors; Wilson plots; macromolecular data scaling; protein classification

Document Type: Research article

DOI: 10.1107/S0907444903025538

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