Re: [ccp4bb] negative density peaks where there is no model.

2009-09-28 Thread Kay Diederichs
Waight, Andrew schrieb: Hello everyone I have a question for the experts. I am in the final stages of refining my model placing waters and whatnot. However when I refine my model against the pure scalepack output, I see some rather signifigant negative difference density

Re: [ccp4bb] negative density peaks where there is no model.

2009-09-27 Thread Joe Cockburn
Hi Andrew, If there is no *protein* model built into this region of the map, then it will be modelled by the bulk solvent correction - therefore, the negative peaks are telling you that the mean electron density there is lower than in the bulk solvent. Probably. Joe > Hello everyone I have a ques

Re: [ccp4bb] negative density peaks where there is no model.

2009-09-27 Thread Edward A. Berry
Yes, I've seen this behavior. I attribute it to lack of the 0,0,0 and ultra-low resolution reflections. Remember that the average density in a map (with difference coefficients or whatever) is zero. That means that if the model lacks a few atoms, but has no atoms that don't belong, so that an ab