[buster-discuss] Weak ligands

[Huyton, Trevor]

Hello all,

I'm refining a structure at ~1.8 A with 4 copies of a protein molecule in the AU. This was co-crystallized and also soaked with a large amount of peptide in the cryo (unknown binding site).
After seeing nothing in Fo-Fc maps from Refmac and Phenix I tried running autoBUSTER for the first time. Refinement using NCS and TLS gave R-20 R-free 22. More importantly I can now see some weak density for 1 copy of my peptide in the Fo-Fc map.

I have tried to build the peptide in coot but I am not 100% sure in the direction.

Does anyone have any advice on how to improve the maps further?

Best

Trevor


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