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. 2010 Aug 11;38(22):8370–8376. doi: 10.1093/nar/gkq700

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© The Author(s) 2010. Published by Oxford University Press.

This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.5), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 2. — The A–A pair and its solvation. (A) The CH···N bond between the adenine rings is found in all the examined pairs. An associated sulphate anion is always found in the major groove but its occupancy factor is ∼0.5. The λ-angles are shown indicating the inclination of the residues towards the major groove. One adenine ring is always elevated more than the other and both are higher than average found for the C–G base pairs. The corresponding 2F_o–F_c electron density is shown for the rhombohedral (B) and a representative density for the trigonal structure (C).