Dear all In the structure I am working has three Mg2+ ions having B-factors of 36.6, 8.6 and 20.3 Å2 with occupancy of one. The mean B-factor and resolution are 22.65 Å2 and 2.5 Å respectively. I want to adjust the occupancy of the Mg (with 36.6 Å2) manually. Please suggest what could be the final B-factor for that Mg, based on which I can assign the occupancy.
Thanks in advance Anirudha
