Holographic methods in X-ray crystallography. IV. A fast algorithm and its application to macromolecular crystallography
- 1 September 1995
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section A Foundations of Crystallography
- Vol. 51 (5) , 691-708
- https://doi.org/10.1107/s0108767395002315
Abstract
The holographic method makes use of partially modeled electron density and experimentally measured structure-factor amplitudes to recover electron density corresponding to the unmodeled part of a crystal structure. This paper describes a fast algorithm that makes it possible to apply the holographic method to sizable crystallographic problems. The algorithm uses positivity constraints on the electron density and can incorporate a 'target' electron density, making it similar to solvent flattening. The potential for applying the holographic method to macromolecular X-ray crystallography is assessed using both synthetic and experimental data.Keywords
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