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
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