Crystallographic refinement of ligand complexes
2007 (English)In: Acta Crystallographica Section D: Biological Crystallography, ISSN 0907-4449, E-ISSN 1399-0047, Vol. 63, no 1, 94-100 p.Article in journal (Refereed) Published
Model building and refinement of complexes between biomacromolecules and small molecules requires sensible starting coordinates as well as the specification of restraint sets for all but the most common non-macromolecular entities. Here, it is described why this is necessary, how it can be accomplished and what pitfalls need to be avoided in order to produce chemically plausible models of the low-molecular-weight entities. A number of programs, servers, databases and other resources that can be of assistance in the process are also discussed.
Place, publisher, year, edition, pages
2007. Vol. 63, no 1, 94-100 p.
Ligand complexes, Macromolecular crystallography, Model building, Refinement, Restraint sets
IdentifiersURN: urn:nbn:se:uu:diva-147039DOI: 10.1107/S0907444906022657ISI: 000242796000012PubMedID: 17164531OAI: oai:DiVA.org:uu-147039DiVA: diva2:399762