Dear All,
I am wondering whether the Free_R column of an mtz file is altered by
using "Reindex" (and/or "Cad"). The way I understand it, reindexing
does not affect the Free_R column, correct?
I have solved a structure with a reindexed dataset (P21212 from
P22121). Now I have datasets of ligand-bound forms of the protein,
which I would like to reindex (in the same way as the initial apo-
datasets) and copy the Free_R from the initial dataset.
What I am concerned about is whether I will get the same reflections
Rfree flagged in the ligand-bound dataset, as I did not resort
reflections with "Cad" after the reindexing of the initial apo-
dataset. The procedure I chose now is to merge and scale, then
reindex the ligand-datasets (with "Reindex"), and then copy the Rfree
from the original dataset (with "Uniqueify"); (i.e. no resorting of
the reflections after reindex). Perhaps, I should have sorted the
reflections after the reindexing in both apo- and ligand datasets.
Thank you very much in advance for any comments!
Florian
