Hi Rana,
Your email contains very little information which might help finding the
reason for the high R-values
- the resolution itself does not mean your data are of good quality. What
is the completeness (overall and high resolution shell), what are Rint/
Rsym and I/sigma? Maybe you are including a lot of noise.
- how did you solve the phase problem? MR or experimental phasing, i.e.
could it be that you model is wrong? What's the Rfree value?
- is your model complete, or are parts missing because there is no
density?
- have you tried arp/warp to get to a better model?
- are you confident the space group is correct? Maybe the data are
twinned?
and probably many more issues one might consider.
Tim
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
On Mon, 16 Feb 2009, Rana Refaey wrote:
Hi all
I have two datasets of resolutions 1.6 and 1.65 ? both of the same molecule,
the problem that i am facing is the refinement.
The R factors are stuck at very high values 0.3329 and 0.3791 after
restrained refinement, although the the map fits into the electron density
very well.
Regards,
Rana
