Hey Elizabeth,
To answer your second question first, I think if the atom name for water
is "W", it is read as a density peak by shelxl. If you change "W" to "O",
it will read it as water and refine it.
I have some idea about your question about the B-factor. Arg and Met can
often be seen in alterna
Dear all,
I am refining a perfectly twinned structure at 1.8 A using
Shelxl.Currently the Rfactors/Rfree are 20/28%.
I have a problem with the B-values that I get after refinement. Within the
same residue I may get very low numbers or very high numbers as I show
below:
ATOM415 N ARG 1091
