looks like a case of the "if Rfree is lower than 0.300 the structure is perfect, if Rfree is higher than 0.300 your structure is completely rubbish" police striking again (some reviewers are like this). A bit like if p is smaller than 0.05 the effect is definitely real and if p is just about 0.05 there is definitely no effect... I would include data to 2.4Å. Or perhaps, try steps and look at maps at 2.4, 2.5, 2.6Å etc. and then decide (PDBredo can do this automagically). And then take 2.4Å or some limit much closer to 2.4Å than 3.0Å. At 2.4Å (or 2.5Å or 2.6Å) there would be much more info and maps should look better than at 3.0Å, even if the Rs are a bit higher.
Mark J van Raaij Dpto de Estructura de Macromoleculas Centro Nacional de Biotecnologia - CSIC calle Darwin 3 E-28049 Madrid, Spain tel. (+34) 91 585 4616 > On 5 Jul 2019, at 15:48, Sam Tang <[email protected]> wrote: > > Dear all > > Hello again > > Thanks a lot for the numerous input. > > I received a dataset which was processed to 2.4A but refined to 3A -- this > was the background I raised this question in the first place. Then I looked > at the aimless statistics. At 2.4A the high resolution bin CC1/2 0.626, > I/sigI 2.0, Completeness 84.6, Multiplicity 1.7 (P1 spacegroup). I suspect > the reason for the refinement resolution limit to be set at 3 A was simply > due to better Rw/Rf (0.236/0.294 at 3A; 0.284/0.341 at 2.4A). > > Based on these information am I justified to say that data quality at 2.4 A > was suboptimal? In this case do you think refining at a (much) lower > resolution is acceptable? > > Best regards > > Sam > > On Fri, 5 Jul 2019 at 13:43, Sam Tang <[email protected] > <mailto:[email protected]>> wrote: > Hello everyone > > Sorry for a naive question. Is there any circumstances where one may wish to > refine to a lower resolution? For example if one has a dataset processed to 2 > A, is there any good reasons for he/she to refine to only, say 2.5 A? > > Thanks! > > Sam Tang > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > <https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1> ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
