Crystal structure from packing studies: application to the triclinic structure of the cyclic hexapeptide cyclo-(gly-tyr-gly)2

Ramachandran, GN and Shamala, N (1976) Crystal structure from packing studies: application to the triclinic structure of the cyclic hexapeptide cyclo-(gly-tyr-gly)2. In: Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography, 32 (6). pp. 1008-1009.

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Abstract

The paper describes a novel method of finding the position and orientation of a relatively rigid molecule in the unit cell from criteria concerning allowed contact distances between atoms. On application to the crystal structure of a hexapeptide, C25H31N6O8.2H2O, it was possible to solve the structure from this starting point, by a series of SFLS refinements with an increasingly larger number of reflexions at successive stages. The packing analysis succeeded, even though the water molecules were not included to start with.

Item Type:	Journal Article
Publication:	Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography
Publisher:	International Union of Crystallography
Additional Information:	Copyright of this article belongs to International Union of Crystallography .
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	11 Dec 2009 08:55
Last Modified:	19 Sep 2010 05:48
URI:	http://eprints.iisc.ac.in/id/eprint/23949

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