PS I’d model a metal and 4 waters and then measure the distances after refinement. And then look at M Harding's ActaD papers and try to work out which coordination configuration and distances work best. And, when you get the chance, run an emission spectrum at the beamline to help identify the putative heavy(ish) atom that was co-crystallised.
Mark J van Raaij Dpto de Estructura de Macromoleculas Centro Nacional de Biotecnologia - CSIC calle Darwin 3 E-28049 Madrid, Spain Section Editor Acta Crystallographica F https://journals.iucr.org/f/ > On 26 May 2021, at 15:08, leo john <[email protected]> wrote: > > Hi Group > Can you please suggest what this unmodeled blob can be (see appended picture)? > I have Malonate, Boric Acid and Peg in my condition, and crystals were soaked > in GOL. > > I have tried fitting PO4 and SO4 so far. > > Thank You > John > <image.png> > > > > 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.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/
