Dear Phenix group,

 

I am trying to decide which electron density map to use for rebuilding my structure in Coot. Both 2Fo-Fc maps appear quite similar at the 1 sigma level but the absolute electrons per cubic Angstrom (e/A^3) is very different.

 

When contoured at 1.00 rmsd in coot, these are the e/A^3 levels (Coot calls them absolute levels):

Map #1 2Fo-Fc: 0.0044 e/A^3

Map #2 2Fo-Fc: 0.0832 e/A^3

 

Map #1 was generated using a twinning operator that is typically required for this crystal form. Map #2 was generated without the twinning operator and it tends to have slightly better 2Fo-Fc density, and there is a bit more density (or noise?) in the Fo-Fc map.

 

The structure was refined in Phenix and gave a similar Rfree regardless of whether a twinning operator was used.

 

What does it mean to have this 20-fold difference in electrons per cubic Angstroms for my maps? Which map should I use?

 

Thanks for your help!

 

-Sam


PS: The Fo-Fc map in Map#2 also contours at a much higher absolute e/A^3 level.