I tend to use PISA for suggesting biologically relevant complexes. And you can modify the MR solution to replace a molecule with any symmetry generated copy of it..
But check Phaser has put your molecule reasonably close to the origin. On Mon, 4 Mar 2019 at 19:52, Randy Read <rj...@cam.ac.uk> wrote: > 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: rj...@cam.ac.uk > Cambridge CB2 0XY, U.K. > www-structmed.cimr.cam.ac.uk > > > On 4 Mar 2019, at 17:27, Eze Chivi <ezech...@outlook.com.ar> 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 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
