Ab initio structure determination of a peptide beta-turn from powder X-ray diffraction data

Tedesco, Emilio and Harris, Kenneth DM and Johnston, Roy L and Turner, Giles W and Raja, Muruga Poopathi K and Balaram, Padmanabhan (2001) Ab initio structure determination of a peptide beta-turn from powder X-ray diffraction data. In: Chemical Communications (16). pp. 1460-1461.

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Abstract

Ab initio crystal structure determination of the peptide Piv-Pro-Gly-NHMe directly from powder X-ray diffraction data, using the genetic algorithm technique for structure solution, has allowed the complete structural characterization of the Type II beta-turn conformation and the intermolecular interactions in this structure, and highlights the opportunities that now exist for structure determination of peptide systems when single crystals appropriate for single crystal X-ray diffraction experiments cannot be prepared.

Item Type:	Journal Article
Publication:	Chemical Communications
Publisher:	Royal Society of Chemistry
Additional Information:	Copyright for this article belongs to the Royal Society of Chemistry
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	18 Aug 2004
Last Modified:	19 Sep 2010 04:14
URI:	http://eprints.iisc.ac.in/id/eprint/1302

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