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A parallel 5'-d(TGGGGT)-3' quadruplex was formed in Na+ solution and crystallized using lithium sulfate as the main precipitating agent. The X-ray structure was determined to 1.5 Å resolution in space group P21 by molecular replacement. The asymmetric unit consists of a characteristic motif of two quadruplexes stacked at their 5' ends. All nucleotides are clearly defined in the density and could be positioned. A single bound Li+ ion is observed at the surface of the column formed by the two joined molecules. Thus, this small alkali metal ion appears to be unsuitable as a replacement for the Na+ ion in the central channel of G-quartets, unlike K+ or Tl+ ions. A well conserved constellation of water molecules is observed in the grooves of the dimeric structure.

Supporting information

PDB reference: 5′-­(TGGGGT)-3′ quadruplex, 2o4f, r2o4fsf

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