Dear all,
we have a structure at not the greatest resolution (~2.6A) of which
crystal was grown in crystallization condition with Jeffamin. In the
maps, we see typical PEG-like sausages. Jeffamin is basically a PEG
decorated with some methyl groups and it is terminated with amine groups.
Now, the question is how to interpret such blobs? To my understanding
the methyl decoration is not regular, and it is not obviously visible in
the maps. Nor is clear, if there is a contact to the amine group. When
we tried to put in PEG models as placeholders, it explains the density
fine, but the contacts are nothing great, e.g. position of the oxygens
in the polymer is not clear.
Calculating Polder maps does not clear things up.
How would you deal with interpretation such maps?
Thank you for your ideas :-)
Jan
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