On Mon, Jun 13, 2011 at 9:48 AM, Dhanasekaran Varudharasu < [email protected]> wrote:
> We have solved one protein structure with barium as > a heavy atom using SAD technique. But in the final refinement one barium > site shows split. But the distance between the two positions is 3.8 Å. > Please give your valuable comments and suggestions to conclude whether it is > due to split or due to the occurrence of two individual barium atoms. > Herewith I have enclosed the image files containing the electron density map > at 1.00 sigma level and the anomalous map at 4.00 sigma level for your > reference. > Looks like two sites to me, but why not try refining the occupancies? -Nat
