Hi Tobias,
I don't know of any specific claims made about this but you'd better check the data yourself if you find an example. A nice paper by Bill Hunter and his team (http://scripts.iucr.org/cgi-bin/paper?S1744309111005835) showed a case where Co2+ was an essential ion for crystallisation , but it was overlooked by the original depositors of the model. Not being in a model does not show that it's really not there.
Cheers,
Robbie
> -----Original Message-----
> From: CCP4 bulletin board <[log in to unmask]> On Behalf Of Tobias
> Beck
> Sent: Tuesday, September 11, 2018 13:42
> To: [log in to unmask]
> Subject: Re: [ccp4bb] Literature on crystallization screen ingredients not
> showing up in crystal structure
>
> 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] <mailto:[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]
> <mailto:[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.
>
> --
>
> ___________________________________________
>
> 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
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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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