Hi Jianghai For that, you have to rebuild your model. Ramachandran outliers are symptoms of poor model, so you have to fix it by hand. Even if it is low resolution and huge. ESPECIALLY if it is low resolution and huge. Sux. For the hugeness issue, DEFINITELY use tight NCS restraints if you have higher NCS. a) it means less building, and b) it makes refinement more robust. Also, please refer to Tassos email on ccp4BB this week: the question implies you have some basic reading to catch up on, about refinement and rebuilding in general. Cheers phx Jianghai Zhu wrote:
Hi,
I am refining a low resolution huge protein structure. There are about 20% residues in the disallowed region of ramachandran plot. Is there a way in phenix.refine to refine the phi, psi angles to get a better ramachandran plot? or a phi, psi restraints in refinement?
Thanks.
Jianghai
+++++++++++++++++++++++++++++++ Jianghai Zhu, Ph.D CBR Institute for Biomedical Research Department of Pathology Harvard Medical School 200 Longwood Ave., Boston, MA 02115 Ph: 617-278-3211 Fx: 618-278-3232 +++++++++++++++++++++++++++++++
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