Crystal structure of an alternating octamer r(GUAUGUA)dC with adjacent G center dot U wobble pairs

The crystal structure of the RNA duplex, r(GUAUGUA)dC, with a 3'-terminal deoxy C residue, has been determined at 1.38 Angstrom resolution. The r(GUAUGU) hexameric consensus sequence is present at the exon-intron junction in pre-mRNAs of yeast and higher eukaryotic organisms. The crystal belongs to the rhombohedral space group R3. The hexagonal unit cell dimensions are a = b = 39.71 Angstrom, c = 68.15 Angstrom and gamma = 120 degrees with one duplex in the asymmetric unit. The structure was solved using the molecular replacement method. The final model contains 332 atoms of the duplex and 67 solvent molecules. The R-factor is 17.6% (R-free of 23.1%) for 4035 reflections with F greater than or equal to 1.5 sigma(F) in the resolution range 10.0 to 1.38 Angstrom. The duplex is of the A-type with a pseudodyad relating the two strands. The RNA helix is slightly distorted, in spite of the presence of two adjacent G . U wobble base-pairs located at the center of the helix. The twist angle between the wobble pairs, 38.1 degrees, is above the average value and those between the wobble base-pairs and the flanking Watson-Crick base-pairs, 26.7 degrees and 26.3 degrees, respectively, are lower than the average values. The twist between the junction base-pairs are about 24 degrees. The G . U wobble pairs are bridged by water molecules and solvated iri the grooves. G . U base-pairs are as stable as the Watson-Crick A . U pairs and only slightly less stable than the G . C pairs accounting for their frequent occurrence in RNA. (C) 1997 Academic Press Limited.