Advances in thefree lunchmethod

Autor: Carmelo Giacovazzo, Rocco Caliandro, Liberato De Caro, Benedetta Carrozzini, Giovanni Luca Cascarano, Dritan Siliqi
Rok vydání: 2007
Předmět:
Zdroj: Journal of applied crystallography 40 (2007): 931–937. doi:10.1107/S0021889807034073
info:cnr-pdr/source/autori:Caliandro R. 1, Carrozzini B. 1, Cascarano G.L. 1., De Caro L. 1, Giacovazzo C. 1. and Siliqi D. 1./titolo:Advances in the free lunch method/doi:10.1107%2FS0021889807034073/rivista:Journal of applied crystallography/anno:2007/pagina_da:931/pagina_a:937/intervallo_pagine:931–937/volume:40
ISSN: 0021-8898
DOI: 10.1107/s0021889807034073
Popis: The most critical limit of macromolecular crystallography, the experimental data resolution, is partially `tricked' by the `free lunchmethod' (non-measured reflection extrapolation). The best electron density map available when only observed data are used may be employed to extrapolate moduli and phases of unobserved reflections behind and beyond the experimental resolution limit. The method is able to reduce the mean phase error of the observed reflections and to produce a more interpretable (in terms of a molecular model) electron density map. The main features of thefree lunchmethod have been studied and its performance has been enhanced; it is beneficial even if data resolution is about 2 Å. Furthermore, the technique has been parameterized so that it may be routinely used by other phasing programs.
Databáze: OpenAIRE
Externí odkaz: