Dear Rhys,

I second Roger on the use of jelly-body refinement.  In addition, give Buster a try.  It sometimes does magic at lowish resolution.

All best.


On Thu, Jul 13, 2017 at 1:17 AM, Rhys Grinter <[log in to unmask]> wrote:
Dear All,

I'm currently in the process of refining a low(ish) resolution structure at 3.2 Ang, with a fair level of anisotropy. I processed the data through the anisotropy server (, which elliptically truncated the data to 4.0, 3.8 and 3.2 Ang. This really improved the maps and allowed me to trace the majority of the chain and build most side chains.

The R-factors are reasonable (0.29 work and 0.35 free respectively). but I'm having trouble with over fitting in refinement as I continue to refine. What parameters/restraints would the community generally use when refining this kind of structure? Additionally Refmac doesn't seem to read the structure factors from the anisotropy server output file properly, giving vastly inflated R values and strange looking maps.



Dr Rhys Grinter
Sir Henry Wellcome Fellow
Monash University