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- Title
Crystal Structures of Two Modifications of [3, O-didehydro-mebmt<sup>1</sup>, val<sup>2</sup>]-cyclosporin and comparison of three different X-ray data sets.
- Authors
Pohl, Ehmke; Herbst-Irmer, Regine; Sheldrick, George M.; Dauter, Zbigniew; Wilson, Keith S.; Bölsterli, Johann J.; Bollinger, Pietro; Kallen, Jörg; Walkinshaw, Malcolm D.
- Abstract
The crystal structure of [3, O-didehydro-MeBmt1, Val2]cyclosporin (PSC-833; 1) was investigated by X-ray analysis. Data were collected from two different crystal modifications. Modification I crystallizes in P3121, a = b = 21.419 (2) Å, c = 32.101 (3) Å with one molecule in the asymmetric unit, modification II in P3221, a = b = 21.313 (2) Å, c = 62.053(3) Å with two molecules per asymmetric unit. This non-immunosuppressive analogue of cyclosporin A adopts a similar backbone conformation to that found in the crystal structure of cyclosporin A and other analogues. Three different data sets of modification I were collected using an Enraf-Nonius-CAD4 diffractometer with Cu Kα radiation at 20°, a Stoe-Siemens four-circle diffractometer with Mo Kα radiation at − 120°, and an EMBL image-plate scanner with synchrotron radiation at 12°. The quality of the data sets was evaluated by internal consistency, independent structure solution, and refinement. The structural parameters reported here for modification I are based on the synchrotron data.
- Publication
Helvetica Chimica Acta, 1995, Vol 78, Issue 2, p355
- ISSN
0018-019X
- Publication type
Article
- DOI
10.1002/hlca.19950780208