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J Biol Chem, Vol. 274, Issue 34, 23683-23686, August 20, 1999

COMMUNICATION
Water and Ions in a High Resolution Structure of B-DNA

Montserrat Soler-López, Lucy Malinina^§, Jie Liu, Tam Huynh-Dinh^¶, and Juan A. Subirana

From the  Departament d'Enginyeria Química, Universitat Politècnica de Catalunya, Avinguda Diagonal 647, E-08028 Barcelona, Spain, the ^§ Engelhardt Institute of Molecular Biology Russian Academy of Sciences, Vavilova 32, 117984 Moscow, Russia, and the ^¶ Unité de Chimie Organique, Institut Pasteur, Rue Dr. Roux 28, 75724 Paris, France

A detailed picture of hydration and counterion location in the B-DNA duplex d(GCGAATTCG) is presented. Detailed data have been obtained by single crystal x-ray diffraction at atomic resolution (0.89 Å) in the presence of Mg²⁺. The latter is the highest resolution ever obtained for a B-DNA oligonucleotide. Minor groove hydration is compared with that found in the Na⁺ and Ca²⁺ crystal forms of the related dodecamer d(CGCGAATTCGCG). High resolution data (1.45 Å) of the Ca²⁺ form obtained in our laboratory are used for that purpose. The central GAATTC has a very stable hydration spine identical in all cases, independent of duplex length and crystallization conditions (counterions, space group). However, the organization of the water molecules (tertiary and quaternary layers) associated with the central spine vary in each case.

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Copyright © 1999 by The American Society for Biochemistry and Molecular Biology, Inc.

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