Re: [ccp4bb] Why there are difference density when occupancy is 1.00

2008-01-23 Thread Eleanor Dodson
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)

Re: [ccp4bb] Why there are difference density when occupancy is 1.00

2008-01-23 Thread Sun Tang
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

[ccp4bb] Why there are difference density when occupancy is 1.00

2008-01-22 Thread Sun Tang
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