Dear Ray,
the article cited by Johan (that we published long ago) is quite old and
based essentially on room T crystal structures. We are doing a more
sophisticated analysis of low T structures now. No definitive results for
the moment.
Oliviero
On Fri, October 23, 2015 15:54, Hattne, Johan wrote:
>> 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
> ____________________________________________________
> Janelia Research Campus * 19700 Helix Drive
> Ashburn, VA 20147 * +1 (571) 209-4000 extension 3376
>
|