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Ab initio structure determinations by direct-space methods: tests of low-density elimination (2001)

Matsugaki, Naohiro ; Shiono, Masaaki

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 57 (2001), S. 95-100

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ISSN: 1399-0047

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: The low-density elimination method, which was developed for phase extension and refinement, has been investigated regarding its power to solve crystal structures starting from completely random phase sets. The method employs a multi-solution strategy. Low-symmetry structures are easily solvable where phase restrictions are only applied to a few reflections. Even with high-symmetry structures, a reasonable solution was obtained regarding centric reflections as general reflections. It is also shown that the structure of a small protein ribonuclease Ap1 is solvable if the positions of the five S atoms in the protein are known.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0907444900014244

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