refining two chains into same density
I have a strange case where I think there are two separate protein chains that are partially occupying the same spot (i.e. two proteins:one binding site=half of each bound). I'd really like to try to simultaneously refine both chains at partial occupancy into this density, but when I tried this (not surprisingly) it terminated because there were some overlapping atomic coordinates between the two chains. Is there a way to work around this? Thanks, Scott -- Scott Horowitz, Ph.D. Research Associate Howard Hughes Medical Institute University of Michigan Department of Molecular, Cellular, and Developmental Biology Bardwell lab 830 N. University Ave, Room 4007 Ann Arbor, MI 48109 phone: 734-647-6683 fax: 734-615-4226
Hi Scott, you can do it in phenix.refine, please have a look at corresponding documentation page: http://phenix-online.org/documentation/refinement.htm#anch111 All you need to do is: 1) Place two chains into density (which I figure you've already done) 2) Make sure each chain has a non-blank altloc, say A and B 3) Run phenix.refine. If you need more help with this you can send me PDB file (and indicate chains in questions) and I will make sure it works correctly. Pavel On 5/2/14, 5:50 AM, Scott Horowitz wrote:
I have a strange case where I think there are two separate protein chains that are partially occupying the same spot (i.e. two proteins:one binding site=half of each bound). I'd really like to try to simultaneously refine both chains at partial occupancy into this density, but when I tried this (not surprisingly) it terminated because there were some overlapping atomic coordinates between the two chains. Is there a way to work around this?
Thanks, Scott
participants (2)
-
Pavel Afonine
-
Scott Horowitz