These problems are a pain!
My (half-baked) thoughts 0) Yes - get rid of all junk images etc and inspect the frames - we have had a case where MR would not work for the "best" crystal as processed by XDS, but when we looked at the images there was clear streaking and other technical problems. the MR worked well for a better crystal with cleaner images 1) The Space group indication seems pretty clear for P2 21 2 so I would be reluctant to give up on that 2) Unless you have been very careful with assigning FreeR reflection in orthrhombic then extending them to P21 you will certainly get a much lower free R in the monoclinic spacegroup - an assignmemt of FreeR reflections h k l and -h -k l are not really independent.. 3) Have you tried searching with the model dimer? 4) Can you send the REFMAC log - I wonder about the scaling.. 5) Try MOLREP as well - it is not as powerful as Phaser but has a different packing check algorithm Eleanor On 10 August 2018 at 08:29, Kay Diederichs <kay.diederi...@uni-konstanz.de> wrote: > Tommi, > > one aspect that may be confusing is that XDS and POINTLESS by default have > a different way to describe the setting of orthorhombic space groups with 1 > or 2 screw axes > This seems relevant for this particular project, and is discussed in > https://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Pointless > In short, to make the POINTLESS setting compatible with that of XDS, you > want to use > SETTING SYMMETRY-BASED > in the POINTLESS input. XDSGUI does that for you. > > HTH, > Kay > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > 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
