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. 1989 Jan 11;17(1):55-72.
doi: 10.1093/nar/17.1.55.

Refined crystal structure of an octanucleotide duplex with I.T. mismatched base pairs

W B Cruse  1 , J Aymani, O Kennard, T Brown, A G Jack, G A Leonard
Affiliations
Free PMC article

Refined crystal structure of an octanucleotide duplex with I.T. mismatched base pairs

W B Cruse et al. Nucleic Acids Res. .
Free PMC article

Abstract

The structure of the synthetic deoxyoctamer d(GGIGCTCC) has been determined by single crystal X-ray diffraction techniques to a resolution of 1.7A. The sequence crystallises in space group P6(1), with unit cell dimensions a = b = 45.07, c = 45.49A. The refinement converged with a crystallographic residual R = 0.14 and the location of 81 solvent molecules. The octamer forms an A-DNA duplex with 6 Watson-Crick (G.C) base pairs and 2 inosine-thymine (I.T) pairs. Refinement of the structure shows it to be essentially isomorphous with that reported for d(GGGGCTCC) with the mispairs adopting a "wobble" conformation. Conformational parameters and base stacking interactions are compared to those for the native duplex d(GGGGCCCC) and other similar sequences. A rationale for the apparent increased crystal packing efficiency and lattice stability of the I.T octamer is given.

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References

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