NCS plus jelly-body restraints in Refmac works pretty well for data in the 3.0-3.5A resolution range with multimeric targets. Not a miracle, but more stable, sensible refinement.

Roger Rowlett


On Mon, Jun 28, 2021, 7:56 AM Kajander, Tommi A <tommi.kajander@helsinki.fi> wrote:
Hello all,

I was wondering what would be current best protocols for trying to improve maps/phases for low resolution 
MR / refinement solutions (5-6 Å resolution). 

High solvent content of course, dimeric 2:2 protein complex so some NCS averaging and density modification
I assume might help (related structures known, currently maps very blobby, clear solution but I think should be able to do better...).

Also, refinement suggestions welcome.

Best route in phenix? So far worked initially with ccp4. Other suggestions also welcome.

Thanks!
Tommi


Tommi Kajander, Ph.D. 
Institute of Biotechnology
University of Helsinki
Viikinkaari 1 (P.O. Box 65)
00014 Helsinki, Finland
p. +358-50-4480991
http://www.helsinki.fi/kajanderlab








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