Thank you Dave. It is not my structure, it is deposited in the PDB.
Best, Roberto. Roberto Battistutta Associate Professor Department of Chemical Sciences University of Padua via Marzolo 1, 35131 Padova - ITALY tel. +39.049.827.5262 fax. +39.049.827.5829 [email protected] > Il giorno 30 lug 2025, alle ore 11:56, David Briggs > <[email protected]> ha scritto: > > Hi Roberto, > > If I encountered that, I'd be thinking that the ligand violates the space > group symmetry, and therefore I'd drop that symmetry element and reprocess > the data in a lower sub-group and re-analyse. > > Zanuda would be helpful in the first instance. > > If this isn't your data/structure - I would hope that the authors may discuss > this observation in more detail the accompanying paper > > HTH. > > Dave > > -- > Dr David C. Briggs CSci MRSB (he/him) > Principal Laboratory Research Scientist (Signalling and Structural Biology > Lab) > and Co-chair, Crick Staff Consultative Forum > The Francis Crick Institute > London, UK > Working hours: Mon-Fri 0900-1700 > == > about.me/david_briggs > <https://www.google.com/url?q=https://about.me/david_briggs&source=gmail-imap&ust=1754474182000000&usg=AOvVaw2c70ok5c9R-ufpiFw6GOJ_> > | OrcID > <https://www.google.com/url?q=https://orcid.org/0000-0002-9793-7339&source=gmail-imap&ust=1754474182000000&usg=AOvVaw0ZPSadpAd5ARs1mO7YOwKK> > | Google Scholar > <https://www.google.com/url?q=https://scholar.google.co.uk/citations?user%3DDRKG5KwAAAAJ&source=gmail-imap&ust=1754474182000000&usg=AOvVaw12QLT8fodYfGPQgtIYztte> > == > "Would it not be better if one could really 'see' whether molecules...were > just as experiments suggested?" > – Dorothy Hodgkin > From: CCP4 bulletin board <[email protected] > <mailto:[email protected]>> on behalf of Roberto Battistutta > <[email protected] <mailto:[email protected]>> > Sent: 30 July 2025 10:50 > To: [email protected] <mailto:[email protected]> > <[email protected] <mailto:[email protected]>> > Subject: [ccp4bb] Ligand on a crystallographic axis > > > External Sender: Use caution. > > > Dear all, > > I'm puzzled by a structure in which a ligand is positioned on a > crystallographic axis (with occupancy 0.5) such that its symmetric molecule > is superimposed but inverted (see below). > Any explanation as to how this is possible? > > Thank you, > > Roberto. > > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > <https://www.google.com/url?q=https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1%3DCCP4BB%26A%3D1&source=gmail-imap&ust=1754474182000000&usg=AOvVaw2l-j7iUcnU3Obfj_WpGnkA> > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB > <https://www.google.com/url?q=http://www.jiscmail.ac.uk/CCP4BB&source=gmail-imap&ust=1754474182000000&usg=AOvVaw2t4AAjln0LhCSinKVqZYrc>, > a mailing list hosted by www.jiscmail.ac.uk > <https://www.google.com/url?q=http://www.jiscmail.ac.uk&source=gmail-imap&ust=1754474182000000&usg=AOvVaw05bF4JBkXfvf_I5pIZtFhM>, > terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ > <https://www.google.com/url?q=https://www.jiscmail.ac.uk/policyandsecurity/&source=gmail-imap&ust=1754474182000000&usg=AOvVaw0HK7vWYhs5FCeEOEY5xbkx> > <Immagineallegata-1.png> > > > Roberto Battistutta > Associate Professor > Department of Chemical Sciences > University of Padua > via Marzolo 1, 35131 Padova - ITALY > tel. +39.049.827.5262 > fax. +39.049.827.5829 > [email protected] <mailto:[email protected]> > > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > <https://www.google.com/url?q=https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1%3DCCP4BB%26A%3D1&source=gmail-imap&ust=1754474182000000&usg=AOvVaw2l-j7iUcnU3Obfj_WpGnkA> > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB > <https://www.google.com/url?q=http://www.jiscmail.ac.uk/CCP4BB&source=gmail-imap&ust=1754474182000000&usg=AOvVaw2t4AAjln0LhCSinKVqZYrc>, > a mailing list hosted by www.jiscmail.ac.uk > <https://www.google.com/url?q=http://www.jiscmail.ac.uk&source=gmail-imap&ust=1754474182000000&usg=AOvVaw05bF4JBkXfvf_I5pIZtFhM>, > terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ > <https://www.google.com/url?q=https://www.jiscmail.ac.uk/policyandsecurity/&source=gmail-imap&ust=1754474182000000&usg=AOvVaw0HK7vWYhs5FCeEOEY5xbkx> > 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/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/
