Hi, yes, shifts depend on resolution indeed. See pages 75-77 here:
http://www.phenix-online.org/presentations/latest/pavel_refinement_general.pdf Pavel On Fri, Oct 14, 2011 at 7:34 PM, Ed Pozharski <epozh...@umaryland.edu>wrote: > On Fri, 2011-10-14 at 23:41 +0100, Phil Evans wrote: > > I just tried refining a "finished" structure turning off the FreeR > > set, in Refmac, and I have to say I can barely see any difference > > between the two sets of coordinates. > > The amplitude of the shift, I presume, depends on the resolution and > data quality. With a very good 1.2A dataset refined with anisotropic > B-factors to R~14% what I see is ~0.005A rms shift. Which is not much, > however the reported ML DPI is ~0.02A, so perhaps the effect is not that > small compared to the precision of the model. > > On the other hand, the more "normal" example at 1.7A (and very good data > refining down to R~15%) shows ~0.03A general variation with a variable > test set. Again, not much, but the ML DPI in this case is ~0.06A - > comparable to the variation induced by the choice of the test set. > > Cheers, > > Ed. > > -- > Hurry up, before we all come back to our senses! > Julian, King of Lemurs >
