Why not run a number of jobs in parallel with varying numbers of monomers/asu?
JPK On Mon, Apr 30, 2012 at 4:20 PM, <mjvdwo...@netscape.net> wrote: > Provided that you guess the number of copies and your guess is reasonably > close, my experience is that Phaser will do the job. But you have to tell > it how many copies you expect, or it will never make sense of the data. > When I did my structure with 6(?) copies some years ago, I guessed a number > that was close enough and then when I inspected the electron density I > could see that there were more copies than I had told the software and all > was fine after that. It was surprising to see that good solutions were > obvious from a packing consideration, while inadequate solutions were > obviously wrong. > > Mark > > > -----Original Message----- > From: Ke, Jiyuan <jiyuan...@vai.org> > To: CCP4BB <CCP4BB@JISCMAIL.AC.UK> > Sent: Mon, Apr 30, 2012 2:28 pm > Subject: [ccp4bb] Suggestions for solving a structure with 8-10 copies per > asymmetric unit > > Dear All, > > I have a question regarding solving a crystal structure by molecular > replacement. It is a single protein with a molecular weight of 25.5 kDa. > The cell dimension is rather big from the diffraction data ( 90.9 Å, 143.9 > Å, 216.3Å, 90°, 90°, 90°). The possible space group is P212121. With such > a big unit cell, we predicted that there are 8-10 molecules per asymmetric > unit. We have a decent model with sequence similarity of 49%. I tried > several times with Phaser search with the current model and had difficulty > to find any clear solution. Has anyone seen such cases and any suggestions > to solve the structure? Thanks! > > Jiyuan Ke, Ph.D. > Research Scientist > Van Andel Research Institute > 333 Bostwick Ave NE > Grand Rapids, MI 49503 > > -- ******************************************* Jacob Pearson Keller Northwestern University Medical Scientist Training Program email: j-kell...@northwestern.edu *******************************************
