Hi everyone, I am trying to refine the occupancy of a bound ligand. After fixing the protein model and water I fitted the ligand into it. Currently, I am using Phenix Refine with occupancy refinement for individual atoms switched on. After the refinement, the overall occupancy of the ligand is 0.7 and the RSCC value is 0.86. The resolution of the structure is 2.1 Å.
Now the problem is that the program has assigned different occupancies to different atoms of the ligand. For some cases, it has assigned 0 occupancies to atoms for which there is a clear positive peak. Why it has been done so and is it acceptable? Any help would be greatly appreciated. Thank you. -- Best Regards, Akanksha Tomar Pre-Doctoral Fellow, C\o Dr. Arockiasamy Arulandu, Membrane Protein Biology Group, International Center for Genetic Engineering and Biotechnology, New Delhi, India ######################################################################## 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/
