Holographic methods in X-ray crystallography. IV. A fast algorithm and its application to macromolecular crystallography.

Autor: Somoza JR; Department of Chemistry and Lawrence Berkeley Laboratory, University of California, Berkeley 94720, USA., Szöke H, Goodman DM, Béran P, Truckses D, Kim SH, Szöke A
Jazyk: angličtina
Zdroj: Acta crystallographica. Section A, Foundations of crystallography [Acta Crystallogr A] 1995 Sep 01; Vol. 51 ( Pt 5), pp. 691-708.
DOI: 10.1107/s0108767395002315
Abstrakt: 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.
Databáze: MEDLINE