The other question is, you say it's 3.3Å, by which criteria ? Xtriage might report a 4Å dataset if you take I/sigI >3 and 85% completeness It might also make a difference which data reduction program you used. [/Advertisement on]XDS/XSCALE or d*Trek[/Advertisement off] might squeeze a bit more our of your dataset.
Jürgen - Jürgen Bosch Johns Hopkins Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Phone: +1-410-614-4742 Lab: +1-410-614-4894 Fax: +1-410-955-3655 http://web.mac.com/bosch_lab/<http://web.me.com/bosch_lab/> On Dec 10, 2010, at 12:35 AM, Jack Russel wrote: Hi all, I am new in the field of crystallography. I have just collected a data at 3.3 Å and the solved the structure using MR . the space group comes out to be P2 3. There are 3 molecules in Asymetric unit with the LLG of 300 and tfz 18. But after repeated rounds of refinement with REFMAC5 and model building with coot the R factor had been struck at 30% and R free at 40%. So is it now the time to stop further refining the solution . if not then how can i lower the R factor and Rfree? The second question is it possible to have such a large difference between R factor and R free? Thanks in advance
