Yes - I have had cases like that where reducing the spacegroup symmetry improved the model a lot! Eleanor
On Wed, 3 Apr 2019 at 09:47, David Briggs <david.bri...@crick.ac.uk> wrote: > Hi, > > This doesn't answer your question directly, but I'd be tempted to reduce > the symmetry and re-refine in a space group lacking that 2-fold axis. > I'd hope that the scaling in the lower space group would give you better > stats as well, but maybe the differences in your case are too subtle? > > I don't know what PDB rules and regs are though. > > HTH, > > Dave > ------------------------------ > *From:* CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Daniele > de Sanctis <de.sanct...@gmail.com> > *Sent:* 03 April 2019 09:36 > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* [ccp4bb] pseudo internal symmetry > > Hi all, > > we have a structure with a pseudo internal symmetry along a 2-fold axis > that sits on a 2-fold crystallographic axis. For refinement purposes we > have modeled the parts that differ with 50% occupancy, but before > depositing the structure we wanted to make sure that this is the best way > to deal with it and it is in agreement with PDB standards. > > Did anyone deal with similar cases in the past? > > Cheers > > Daniele > > > -- > > ἀρετή > --------------------------------------- > Daniele de Sanctis > Structural Biology Group > ESRF - The European Synchrotron > Grenoble, France > Tel 33 (0)4 76 88 2869 > > http://www.esrf.eu/id29 > <https://eur03.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.esrf.eu%2Fid29&data=02%7C01%7C%7C3f1dbf2484a741afadcd08d6b80f9bc3%7C4eed7807ebad415aa7a99170947f4eae%7C0%7C0%7C636898774506676733&sdata=rD4OcHOQLdSl38JDU%2Bz%2BCuQka4o%2BJJChhR00KWXFXHw%3D&reserved=0> > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > <https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2Fwebadmin%3FSUBED1%3DCCP4BB%26A%3D1&data=02%7C01%7C%7C3f1dbf2484a741afadcd08d6b80f9bc3%7C4eed7807ebad415aa7a99170947f4eae%7C0%7C0%7C636898774506686747&sdata=loawEthVDVUPNDEp6iQMFvbOoMbhUUu1B4r%2BXYU7vOI%3D&reserved=0> > > The Francis Crick Institute Limited is a registered charity in England and > Wales no. 1140062 and a company registered in England and Wales no. > 06885462, with its registered office at 1 Midland Road London NW1 1AT > > ------------------------------ > > 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
