Re: [ccp4bb] Why there are difference density when occupancy is 1.00
Hard to say without more information. Have you refined the B factors for these residues? Most building software gives some arbitrary b value, which must then be refined. (In fact after any rebuilding activity you need to do a few cycles of refinement before looking at the maps again) Eleanor Sun Tang wrote: Hello Everyone, When I refined a structure, I found strong difference density Fo-Fc at 3 sigma contour for the for five residues which already have occupancy of 1. The density is continuous and so strong as if I did not put the residues there. Why was that? Can I put greater than 1 occupancy for those residues? Thank you very much for your opinions and suggestions! Best wishes, Sun Tang - Never miss a thing. Make Yahoo your homepage.
Re: [ccp4bb] Why there are difference density when occupancy is 1.00
Hi James, I did check teh B-factors and they are similar to the flanking regions (about 40). The difference density appeared at the later stage of refinement (TLS and restrained in CCP4i). What do you think and how to do it? Best, Sun Tang James Irving [EMAIL PROTECTED] wrote: Hi Sun, I suggest checking that the b-factors for those residues aren't unexpectedly high compared to those in the flankinh regions. Cheers, James On 1/23/08, Sun Tang wrote: Hello Everyone, When I refined a structure, I found strong difference density Fo-Fc at 3 sigma contour for the for five residues which already have occupancy of 1. The density is continuous and so strong as if I did not put the residues there. Why was that? Can I put greater than 1 occupancy for those residues? Thank you very much for your opinions and suggestions! Best wishes, Sun Tang - Never miss a thing. Make Yahoo your homepage. -- Sent from Gmail for mobile | mobile.google.com Dr. James Irving NHMRC C.J. Martin Fellow School of Biomedical Sciences Building 13D Monash University Wellington Road Melbourne 3800 Australia - Never miss a thing. Make Yahoo your homepage.
[ccp4bb] Why there are difference density when occupancy is 1.00
Hello Everyone, When I refined a structure, I found strong difference density Fo-Fc at 3 sigma contour for the for five residues which already have occupancy of 1. The density is continuous and so strong as if I did not put the residues there. Why was that? Can I put greater than 1 occupancy for those residues? Thank you very much for your opinions and suggestions! Best wishes, Sun Tang - Never miss a thing. Make Yahoo your homepage.
