Gruene, TimTimGrueneSheldrick, George M.George M.Sheldrick2018-11-072018-11-072011https://resolver.sub.uni-goettingen.de/purl?gro-2/24196Medium- to high-resolution X-ray structures of DNA and RNA molecules were investigated to find geometric properties useful for automated model building in crystallographic electron-density maps. We describe a simple method, starting from a list of electron-density 'blobs', for identifying backbone phosphates and nucleic acid bases based on properties of the local electron-density distribution. This knowledge should be useful for the automated building of nucleic acid models into electron-density maps. We show that the distances and angles involving C1' and the P atoms, using the pseudo-torsion angles eta' and theta' that describe the ... P-C1'-P-C1' ... chain, provide a promising basis for building the nucleic acid polymer. These quantities show reasonably narrow distributions with asymmetry that should allow the direction of the phosphate backbone to be established.journal_article10.1107/S010876731003914021173468000285520100001