On 23 May 1996, Dr. Sean Parkin wrote:
>rcbi at BEPC2.IHEP.AC.CN wrote:
> >
> > Our research group study on the microgravity effects on protein
> >crystallization. I have finished high resolution space- and earth-grown
> >crystals' structure refinement of an protein, and I am now trying to
> >compare their structure.
> >
> > I am very interested in comparing their solvent structure, but I
> >do not think that I have good and effective ways to do this.
>> >Jishen Pan
>> In order to gain any statistically significant insight into differences
> in water structure between earth and space grown crystals, I think you
> would need (many) more than one separate refinement of each. There can
<snip>
This is right. Even with the same dataset, different refinement
programs give different results concerning the waters (see a recent issue
of Acta Cryst D, paper on DNA refinements... P299, Schuerman et al)
# Harry Powell
# soon _not_ at the Cambridge Crystallographic Data Centre
#
# 'phone: +44 1223 336015 | Watch this space for forwarding information;
# fax: +44 1223 336033 | these numbers don't apply after 30.06.96
