Sorry lande fu- solutions P4 also can also be on different origins. That is a polar spacegroup and any value along the c axis is acceptable. But probably the mr search for both models just sets that to zero...
the r factors for two models being are so different is not so surprising. How well do the models match the final structure? After aligning the two solutions check the maps and see where the differences are. Eleanir On Thu, 9 Sep 2021 at 06:08, SUBSCRIBE CCP4BB Lande Fu < fu...@northeastern.edu> wrote: > Dear Ethan, Eleanor and Mitchell, > > I am appreciated for your replies. I have made some attempts over that > time and I apologize that I did not this reply in time > > I have checked the space group and MR solutions. The two results were in > same P43212 space group but at different origin. It seems the orientation > of initial model resulted in two different origin choices during MR. When I > intentionally reprocess the data in P4 (which has single origin), the > differences between MR solutions with two models is eliminated and their > R-work/R-free values are the same (0.21/0.25 initially). > > However, I’m still wondering why there is such a big gap in R-work/R-free > of those two MR solutions in P43212 as they should be equivalent solutions. > (0.2434/0.3012 vs 0.1967/0.2496) Actually same problem happened before with > our other structures that huge R factor difference appeared when same data > was processed in equivalent space groups such as C2 vs I2 vs F2. > > Thanks again for your help. > > > Regards, > > Lande Fu > > ######################################################################## > > 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/ > ######################################################################## 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/
