Hello,

I am refining a structure solved to 1.5A by MR. Rw/Rf were 0.17/0.22 which seem acceptable to me. At the very beginning part of the protein the electron density is a bit wobbly. I am able to build the residues into the positive densities. But after phenix.refine the chain always shifts away a bit and leaves the green blobs there.

(Photo: https://drive.google.com/open?id=1UngAJuEUt1S0LwPybMJLw2E1xA4cNM3R)

I am thinking if this can be solved by adjusting the target weights. Or can I apply certain restraints only to those few residues?

I refined XYZ (reciprocal space), XYZ (real space), individual B-factors, TLS and occupancies.

Thanks in advance.

Regards

Sam