Hi Wenhua, concerning phenix.refine: just run it again with weights optimization and it should fix the problem (assuming everything else done right: such as you are using correct refinement strategy). If using weights optimization does not help then let me know off list or on Phenix mailing list and we will address this problem one way or another.
Pavel On Tue, Nov 26, 2013 at 12:49 AM, Wenhua Zhang <xtal.zh...@gmail.com> wrote: > Good Morning to ALL, > > I encountered large gaps between R-factor and R-free, eg. 10% and 11%, > during refining several structures with either Refmac or Phenix.refine. > The data were reduced and scaled at resolution with I/SIGMA higher than > 2.3. > The model fits and density pretty well despite a few side chains missing > density. > > I may ask for the reasons that result in such large difference between R > and R free and some ways to examine and improve the refinement. > > Thanks in advance > > Wenhua > > Univ. Paris-Sud XI, Orsay > > > On 11/25/2013 6:03 PM, Beatrice Vallone wrote: > > Please check the announcement for 2014 ESRF Users' Meeting & Associated > Structural Biology Workshop. > > Invitation to the 2014 ESRF Users' Meeting & Associated Workshops to meet > and discuss with fellow users, get inspired, establish new scientific > collaborations and learn about future opportunities offered by the ESRF for > your research. > > Workshop on* "Structural Biology at ESRF: Past, Present & Future > <http://www.esrf.eu/home/events/conferences/um2014/structural-biology-workshops.html>"* > 3 - 5 February > > The Plenary Meeting will feature: > > - 5 plenary lectures by world leading scientists covering a large > spectrum of ESRF activities; > - a presentation on the status of the facility and on the progress of > the Upgrade Programme; > - a talk by the winner of the prestigious "ESRF Young Scientist Award"; > - a poster session; > - a banquet, with awards to the ESRF Young Scientist Award and for the > best poster > > Programs for the Meeting and Workshops are available at: > > http://www.esrf.eu/home/events/conferences/um2014.html > > Regards to all, > > Beatrice Vallone > ESRF User Organization Committee > > > > >
