The crystal structure of the RNA duplex
[r(CGUGAUCG)dC]2 has been solved at
a resolution of 0.97 Å. The model has been refined
to R-work and R-free of 14.88% and 19.54% for 23,838
independent reflections. The base-pairing scheme forces
the 5′-rC to be excluded from the helix and to
be disordered. In the crystals, the sequence promotes
the formation of two GoU wobble pairs that cluster around
a crystallographic threefold axis in two different ways.
In the first contact type, the GoU pairs are exclusively
surrounded by water molecules, whereas in the other contact
type, the three amino groups of the guanine residues of
the symmetry-related GoU pairs trap a sulfate ion. This
work provides the first example of the interaction of a
GoU pair with a sulfate ion in a helical context. Despite
the negative charge on the polynucleotide backbone, the
guanine amino N2 is able to attract negatively charged
groups that could, in the folding of complex RNA molecules,
belong to a negative phosphodiester group from a neighboring
strand and, in a RNA–protein complex, to a negative
carboxyl group of an aspartate or glutamate side chain.