[phenixbb] 3Fe4S clusters in real-space refinement

18 Apr 2022

      Hi PHENIX BB,

I'm currently refining a structure with 3Fe4S clusters into some high
resolution cryoEM maps (1.57 Ang). However, refinement messes up the Fe4S
cluster, by moving the existing Fe and S atoms into the wrong positions in
the density.

Is anyone aware of this issue and/or knows of a simple way to prevent this
from happening?

Cheers,

Rhys

-- 
Dr Rhys Grinter
Lab Head
Molecular Physiology of Microbial Pathogens (MP2) Lab
Monash University
+61 (0)3 9902 9213
+61 (0)403 896 767