> > > For structures with a small number of reflections, the statistical noise > in the 5% sets can be very significant indeed. We have seen differences > between Rfree values obtained from different sets reaching up to 4%.
This is very intriguing indeed! Is there something specific in these structures that Rfree differences depending on the set used reach 4%? NCS? Or the 5% set having less than ~1000-1500 reflections? It would be indeed very interesting if there was a correlation there! A. > > Ideally, and instead of PDBSET+REFMAC we should have been using simulated > annealing (without positional refinement), but moving continuously between > the CNS-XPLOR and CCP4 was too much for my laziness. > > All the best, > Nicholas > > > -- > > > Dr Nicholas M. Glykos, Department of Molecular Biology > and Genetics, Democritus University of Thrace, University Campus, > Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620, > Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/
