Hi
I would appreciate few things for my protein structure. Data is 1.5A.
This protein is of 400 residues. 2 molecule in the asymm unit.
Missing residues are : N-terminal 8 residues, C-terminal 5 residues and in
the middle residues 87-93.
Final R(working) = 21% after refmac refinement. Some (not all) waters
created into the structure.
I am taking this structure into Shelxl for further refinement and building
the missing residues.
(1) During Shexl refinement how the missing residues I can fix. what kind
of keyword I should use to fix the missing residues with a reasonable
Occunany and B value.
(2) In COOT how can I build acetate ions in place of waters. Or any other
way I can call acetate ions.
Thanks
Sam
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