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Phasing at resolution higher than the experimental resolution.

Rocco Caliandro·Benedetta Carrozzini·Giovanni L Cascarano·Liberato De Caro·Carmelo Giacovazzo·Dritan Siliqi
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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.

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AlgorithmsCrystallography, X-RayElectronsFourier AnalysisSoftwareX-Ray DiffractionJournal Article

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Rocco Caliandro, Benedetta Carrozzini, Giovanni L Cascarano, Liberato De Caro, Carmelo Giacovazzo, Dritan Siliqi. 2005-04-20. Phasing at resolution higher than the experimental resolution.. https://doi.org/10.1107/s090744490500404x

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