*Please* dont throw good 1.8A data for the sake of statistics! You should see more detail along certain directions You will publish your structure providing honest details of the anisotropy (I hope..) but it is the map quality that matters .. Eleanor
On Sun, 21 Jun 2020 at 15:16, Matthew Snee < [email protected]> wrote: > Hi everyone. > > I have an x ray structure that I am finishing up, and there are a few > ambiguous regions where the peptide is poorly resolved. > > The data is highly anisotrophic, and requires truncation to around 2.4A to > achieve acceptable merging stats, although there is data in the "good" > direction going as high as 1.8-1.9A (determined by merging stats when using > elliptical cutoff). > > I have tried feeding my integration outputs to STARANISO with both the > elliptical and spherical cutoffs, but neither produce better results than > Xia2 Dials, as both need to be truncated further than 2.3A before they give > the same refinement stats (i.e it's best to just let refmac/phenix.refine > deal with the anistropy). > > As I understand it, anisotrophy can lead to loss of high resolution detail > because weak observations from the high res shells in the bad direction are > down-weighted, So any tricks to improve map quality (or conversely refining > data with poor completeness) would be appreciated. > > I'm not holding out hope that I can deposit anything better than 2.3A, but > Improving the maps might really help me with some of these troublesome > loops :) > > Cheers > > Matthew. > > Sent from Outlook Mobile <https://aka.ms/blhgte> > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
