Abstract

Abstract:

Accurate model building and refinement is one of the main components of X-ray crystal structure analysis and fit into single particle high resolution cryo-EM reconstructions. We have have developed several tools to increase reliability of models derived from low resolution refinement against X-ray crystallographic data and cryo-EM maps.These include using known crystal structures, information about secondary structures, RNA /DNA base pairing and base stacking interactions. We have also implemented reciprocal space version of real-space refinement against electron density and potential maps. In this talk a new software designed for designing accurate ligand description – ACEDRG that is based on extracted and organised information from the Crystallographic Open Database (COD) will also be described.