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Published in

International Union of Crystallography, Acta Crystallographica Section D: Biological Crystallography, 5(61), p. 556-565, 2005

DOI: 10.1107/s090744490500404x

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Phasing at resolution higher than the experimental resolution

This paper is available in a repository.
This paper is available in a repository.

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Postprint: archiving allowed
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Data provided by SHERPA/RoMEO

Abstract

Limited experimental resolution is a unavoidable feature in macromolecular crystallography: it may hinder or make difficult the determination of the crystal structure. A novel procedure is presented which from an approximate electron-density map extrapolates the moduli and phases of non-measured reflections beyond and behind the experimental resolution limit. Applications to a set of test structures show that the extrapolation can be successfully accomplished. As a consequence, the phase estimates of the observed reflections are subsequently improved and the interpretability of the corresponding electron-density map increases. The use of the extrapolated values for the non-measured reflections provides additional information for the map, which shows a resolution higher than the experimental resolution.