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.
fulltext.pdf - Published Version
Restricted to Registered users only
Download (236Kb) | Request a copy
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|
|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|
Actions (login required)