If your partial solution suggests dimers or tetramers try searching with those. If you can get decent looking unit cell packingwith MR, I had good luck using those phases to run parrot and buccaneer with n-fold symmetry to autobuild 90+ % of the final structure. My initial model was about 29% identity. And I was working with twin maps.
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Roger Rowlett
Gordon & Dorothy Kline Professor
Department of Chemistry
Colgate University
Dear all,I currently work on a 2.6A structure of a ~50kD protein that gave rise to orthorhombic crystals with a large unit cell (95.32 238.58 263.89 90.00 90.00 90.00). According to Matthews there are between 10 and 14 molecules per AU and we only have a replacement model with ~25% aa identity (although it is assumed that it is structurally very conserved). I have already optimized the search model using Phenix ensembler (using two homologous structures).Phaser is currently trying to explore a very large number of potential solutions with not much signal to distinguish among them and I wonder if there might be a way to1) tweak the replacement run in a way that is more straightforward2) find out, whether this long run is leading anywhereThe current top solution looks as follows in the log file (after placing two molecules):Thank you so much for any help or suggestions.Best wishesThomas