Dear all, I have a question regarding alternative ion occupancy refinement (anomalous).
We are working with a dataset from a metal ion binding protein with two ion binding sites, one predominantly occupied by Tb(III), the other by Ca(II). Dataset contains anomalous signal, collected at 1.3 Å wavelength. The expected occupancy (Tb+Ca) at each of the sites is believed to be 1 or very close to 1. I am wondering if it is possible to somehow refine (phenix.refine) using anomalous data a model with two alternative ions at each site (i.e. Tb and Ca), or just place the predominant one at each of the two sites and call it a day? Any hints much appreciated! Best regards, Miha -- Assoc. Prof. Miha Pavšič University of Ljubljana, Faculty of Chemistry and Chemical Technology, Chair of Biochemistry Večna pot 113, SI-1000 Ljubljana, Slovenia ######################################################################## 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/
