On Thu, Jun 17, 2010 at 04:14:04PM +0200, George M. Sheldrick wrote:
> Your space group and cell are rather inconsistent
Nicely put ;-)
P3221 ==> a==b , c , 90 90 120
160.78 157.32 135.62 90.0 90.0 90.0 ==> looks a bit like
tetragonal, e.g. like 1AVQ
(exonclease) with
156.700 156.700 131.700 90.00 90.00 90.00 0.000 P 41 21 2
I would process it in P1 and then run POINTLESS on it: it gives a very
good breakdown of symmetry elements. it also not only tells you what
it knows, but also what it doesn't know (because of missing data) -
very useful.
Cheers
Clemens
> On Thu, 17 Jun 2010, atul kumar wrote:
>
> > dear all
> > I am trying to solve structure of data set at 1.9 A,r merge 9.3,it belongs
> > to space group P3221 unit cell 160.78 157.32 135.62 90.0 90.0 90.0,i has no
> > NCS ,i did tls as well but after water addition the r factor and r free is
> > stuck at 22 and 25 respectively. kindly guide me how can i bring down the R
> > factor.
> >
> > Thankin you.
> >
> > Regards
> > Atul
> >
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