You may want to drop the symmetry to see what is happening with the loop. James
On Jun 10, 2014, at 11:48 AM, Nicholas Keep <[email protected]> wrote: > Am refining a structure in P3(1)21 with three copies in the ASU. It is pretty > close to completion R/Rfree 18/21 with 2A data. > However in one copy a section that is clear in the other two is poor as it > meets itself on a two fold. > > My interpretation is that one copy of the loop is in a visible conformation > that is on the two fold axis and the symmetry related copy is disordered so > it does not clash. Presumably close to half the time the ordered copy is from > one side and the rest from the other to give the symmetric density. > > > If you push the structure into the density then the symmetry related copy > clashes. > > Is this conformation refineable in refmac5 or phenix if the occupancy is set > to zero? > > Should I allow clashes to push both copies either side of the density as is > currently happening? > > Any tips on dealing with this? > > Best wishes > Nick > > -- > Prof Nicholas H. Keep > Executive Dean of School of Science > Professor of Biomolecular Science > Crystallography, Institute for Structural and Molecular Biology, > Department of Biological Sciences > Birkbeck, University of London, > Malet Street, > Bloomsbury > LONDON > WC1E 7HX > > email [email protected] > Telephone 020-7631-6852 (Room G54a Office) > 020-7631-6800 (Department Office) > Fax 020-7631-6803 > If you want to access me in person you have to come to the crystallography > entrance > and ring me or the department office from the internal phone by the door
