Unit cell dimensions don’t really matter here. If it’s a centred lattice you
won’t be able to index it correctly in a primitive system even though C222 and
P222 both have a<>b<>c and alpha=beta=gamma=90.
Ditlev
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Ditlev E. Brodersen
Lektor, Associate Professor
Department of Molecular
Dear Deepanshu,
Is the primary sequence in the neighbourhood of your missing strands conserved?
Perhaps that part differs in your structure relative to the search model. Have
you tried omitting the region from MR and rerunning refinement without to see
if some new density pops up?
If not,
I guess you could expand your structure using SYMEXP and measure across the
solvent channels in PyMOL using the Measure tool?
Nevertheless, I don't think this sort of exercise is very useful. Crystal
soaking is a highly empirical procedure, which in most cases is based on pure
trial-and-error.
1) Double check space group (run POINTLESS with unmerged data).
2) Process only as much data as needed for full completenes and see what you
get (Rpim is OK, so the means of your structure factors are good, which also is
consistent with your low refinement R factors and the maps).
Best,
Ditlev