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On Friday 20 January 2006 09:37 am, Taiana Oliveira wrote: > The model I first used was the native lectin, and the correlation was > 99,0 % while the Rfactor was 0,374. > I carried out the rigid body refinement whic gave a > 0,296 Rfactor and a 0,279 Rfree OK so far. > The restrained refinement made the > Rfactor drop to 0,16, but the Rfree increased to 30,2. That is where things went bad. Clearly your restraints are inadequate at best, and perhaps they are simply wrong. You should look closely at the output log from the refinement run, and you should also run standard validation tools (procheck, coot, sfcheck, ...) to figure out which restraints are failing. The problem may be as simple as an improper MATRIX weight. -- Ethan A Merritt Biomolecular Structure Center University of Washington, Seattle WA
