Dear Ezequiel, There is nothing special about which particular symmetry copies a molecular replacement program chooses, so there is no good reason to stick to those symmetry copies. On the other hand, there are very good reasons to present a molecule that is as close as possible to what is biologically relevant, so you should definitely change the choices of symmetry copies to make a proper heterodimer in your PDB entry. The easiest way I know to do that is with the option in coot: Extensions->Modelling->Symm Shift Reference Chain Here (after centering on an atom in a symmetry copy that you want to make the master copy).
Best wishes, Randy Read ----- Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: +44 1223 336500 Wellcome Trust/MRC Building Fax: +44 1223 336827 Hills Road E-mail: [email protected] Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk > On 4 Mar 2019, at 17:27, Eze Chivi <[email protected]> wrote: > > Dear CCP4bb community: > My crystal is a heterodimeric complex. I solved the structure using MR with a > related structure (containig the dimer), using a highly automated pipeline. > However, the MR solution is not the dimer of biological relevance. The > experimentally validated dimer is formed between a protomer in the ASU and > one from the adjacent symmetry-related pair of molecules. Is it correct to > use a modelling program to assemble the "biologically correct" dimer and then > proceed to refinement? Or... is it need to keep the MR solution and inform in > the PDB header how the relevant dimer is formed? Many Thanks > > Ezequiel > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
