Thank you all for your replies and suggestions.
I have fitted in some dummy waters as Herman suggested and this is the
result after one round of refinement. The waters are positioned where there
is highest electron density, but I am not sure how to move forward from
here.
https://cbsostorage.chem
Hi Betty,
Could you post a few more screen shots of different orientations of the
electron density?
If you see waters that are 1.6, 1.9 and 2.2 A away from the metal ion, I
would try
Mg2+ ion (trace amount of metal ions could be present in salt
solutions/buffers as an impurity)
and refine it (alth
Dear Betty,
You have very high resolution, which helps you to identify your ligand, but the
ligand may be disordered…
What I would do is to place some dummy atoms (e.g. waters) and refine and look
if the molecule gets clearer. By scrolling the density in coot, you can
identify the positions wit
