> On Oct 23, 2015, at 09:25, Ray Brown <[log in to unmask]> wrote:
>
> Hi folks,
>
> I have question about the bound water in a protein structure. Are there any rules about the number of water molecules that is reasonable and acceptable to be included in a protein crystal structure?
>
> Does this number depend on the resolution? Are there empirical rules of thumb or a consensus view on the number of bound waters to be included?
>
> I remember once there was a program by Eleanor Dobson which estimated the number of bound waters that would be expected at different resolutions.
>
> I look forward to hearing opinions on this question.
>
> Ray Brown
This springs to mind: http://dx.doi.org/10.1107/S0907444998012086.
// Cheers; Johan
Research Specialist @ Gonen Lab
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