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Dear Shanti Pal Gangwar,

which strategy did you pursue after MR - did you start model building,
or did you start with refinement? In case of the latter you may have
erased what actually helps you get a better model. One easy way to
check is the geometric sanity of the model. How good is the molprobity
score? If you used refmac5, take a look at the last listing in the
log-file. Make sure the rmsd (Lengths/Angles) is small and does not
increase.

If the geometry is poor, reduce the matrix weight. This might increase
your R-values at the benefit of difference density that might help you
improve your model.

Best,
Tim

On 02/04/2014 10:36 AM, Shanti Pal Gangwar wrote:
> Dear All
>
> I have solved one structure by MR. The data data quality was poor
> so the Rmerge was high. The resolution of the data is 3.3
> Angstrom.The refinement statistics are also very poor Rw/Rf= 40/42
> %. After many efforts we are not able to get reasonable Rw/Rf.
>
> My question is "can it be claimed that we have solved the
> structure?"
>
>
> Thanks in advance
>
>
>
>
>

- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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