Regarding refinement against all reflections: the main goal of our work is to provide the best possible representation of the experimental data in the form of the structure model. Once the structure building and refinement process is finished keeping the Rfree set separate does not make sense any more. Its role finishes once the last set of changes have been done to the model and verified ...
J. Dohnalek On Fri, Oct 14, 2011 at 10:23 PM, Craig A. Bingman < cbing...@biochem.wisc.edu> wrote: > Recent experience indicates that the PDB is checking these statistics very > closely for new depositions. The checks made by the PDB are intended to > prevent accidents and oversights made by honest people from creeping into > the database. "Getting away" with something seems to imply some intention > to deceive, and that is much more difficult to detect. > > On Oct 14, 2011, at 3:09 PM, Robbie Joosten wrote: > > The deposited R-free sets in the PDB are quite frequently 'unfree' or the > wrong set was deposited (checking this is one of the recommendations in the > VTF report in Structure). So at the moment you would probably get away with > depositing an unfree R-free set ;) > > > -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 390 Fax: +420 296 809 410
