Optimised parameters for RNA double-helices.

Abstract Atomic coordinates, obtained by analysis of the X-ray fiber diffraction data from synthetic RNA double-helices, are presented for A-RNA and A′-RNA. (A′-RNA is produced by increasing the salt content in fibers of A-RNA which is the conformation already observed for viral RNA double-helices.) The most probable values of bond-lengths and bond-angles (derived from accurate X-ray diffraction analyses of monomer crystal structures) were assigned to the polymer models which also have ribose rings in the standard C3- endo conformation. Conformation-angles have the experimental values which provide the (least-squares) best fit with the X-ray diffraction data from highly crystalline fibers of poly(A)·poly(U) (for A-RNA) and poly(I)·poly(C) (for A′-RNA). Both models are right-handed, anti-parallel, double-helices with Watson-Crick base-pairs and similar overall conformations. However, A-RNA is an eleven-fold helix whereas the A′-RNA helix is twelve-fold.

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