Dear Fatima, I have used Buster to refine alternate occupanies at 1.2 A or 1.4 A resolution, and it greatly improved the electron density as well as the output statistics.
Best, Marie-Hélène Dr Marie-Hélène LeDu CEA/DSV/IBiTec-S Laboratoire de Biologie Structurale et Radiobiologie bat 144, CE Saclay 91191 Gif-sur-Yvette email : marie-helene.l...@cea.fr tel:01 69 08 71 35 Le 21/07/10 09:53, « Fatima Fonseca » <ffons...@ua.pt> a écrit : > Dear Chris and Leo, > > Thank you for your suggestions. > > I am refining the 1.08 A structure in SHELXL and I have Hs added; I think > refinement is at a final stage. I did start with the 50%, 25+25% occupancy but > then I changed to 0.33 each ... I need to refine this further. > > For the 1.35A data, model is complete (except for some C- and N-terminal > residues) and I've refined alternative conformations too. The crystallization > condition is Sodium acetate and PEG3350 with ethylene glycol as cryo. I have > some molecules of cryo and Na in the model. I¹ll try other cat/anions and > refine. > > Best, > Fátima
