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Not quite what you were looking for, but there was just that paper from Alexander McPherson abut dye binding. They show that some of the dyes seem to bind really tight to the protein, but are invisible in the structure. Maybe there are also some interesting references in there. Sorry haven't got around to read through it by myself, except for the abstract so far.
Cheers
Christian

Investigation into the binding of dyes within protein crystals.

McPherson A, Larson SB.

Acta Crystallogr F Struct Biol Commun. 2018 Sep 1;74(Pt 9):593-602. doi: 10.1107/S2053230X18010300. Epub 2018 Sep 3.

PMID:30198893


On Tue, Sep 11, 2018 at 1:42 PM Tobias Beck <[log in to unmask]> wrote:
Thanks for the replies I have received so far (on and off list).

I would like to emphasize an important aspect: What about crystallization trials where the ingredients do not show up, but cannot be omitted for the crystallization, e.g. buffers to control pH, as mentioned in one response - I am also thinking of specific ions, that are required, but are disordered - any general reference for this?

> Can't you just point out that crystallization is a purification method
Yes, that would be one way to put it. 

Thanks, Tobias.


On Tue, Sep 11, 2018 at 12:38 PM Patrick Shaw Stewart <[log in to unmask]> wrote:

Can't you just point out that crystallization is a purification method?  E.g. look at the number of proteins in the Sigma catalogue that have been purified by crystallization.  Clearly crystallization often excludes other solutes in the mix.

Best wishes, Patrick


On Tue, 11 Sep 2018 at 08:41, Tobias Beck <[log in to unmask]> wrote:
Dear all,

I am looking for some general references regarding the fact that for a crystallization condition not all ingredients of the crystallization cocktail will show up in the crystal structure. Ions could be disordered, buffer components located in the solvent regions, etc.

I think this is rather common knowledge, but maybe there is, especially regarding protein crystallization, a more general reference (apart from text books on solubility) for this and I am just not using the right search terms...

Thank you!

Best, Tobias.
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Dr. Tobias Beck
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RWTH Aachen University
Institute of Inorganic Chemistry
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--
___________________________________________

Dr. Tobias Beck
- independent group leader -
RWTH Aachen University
Institute of Inorganic Chemistry
Landoltweg 1, office: 304N
52056 Aachen, Germany
phone:  +49-241-80-90057
fax:       +49-241-80-99003
web:      http://www.ac.rwth-aachen.de/extern/beck/
___________________________________________



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