Crystalline A-DNA: The X-ray analysis of the fragment d(G-G-T-A-T-A-C-C)

Shakked, Zippora ; Rabinovich, D. ; Cruse, W. B. T. ; Egert, E. ; Kennard, Olga ; Sala, Graciela ; Salisbury, S. A. ; Viswamitra, M. A. (1981) Crystalline A-DNA: The X-ray analysis of the fragment d(G-G-T-A-T-A-C-C) Proceedings of the Royal Society of London. Series B, Biological Sciences, 213 (1193). pp. 479-487. ISSN 0080-4649.

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An A-DNA type double helical conformation was observed in the single crystal X-ray structure of the octamer d(G-G-T-A-T-A-C-C), 1, and its 5-bromouracil-containing analogue, 2. The structure of the isomorphous crystals (space group P61) was solved by a search technique based on packing criteria and R-factor calculations, with use of only low order data. At the present stage of refinement the R factors are 31% for 1 and 28% for 2 at a resolution of 2.25 angstrom (0.225 nm). The molecules interact through their minor grooves by hydrogen bonding and base to sugar van der Waals contacts. The stable A conformation observed in the crystal may have some structural relevance to promoter regions where the T-A-T-A sequence is frequently found.

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ID Code:72749
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