[phenixbb] coordinate error
Pavel Afonine
PAfonine at lbl.gov
Sat Mar 14 13:06:55 PDT 2009
Hi Maia,
the R-factors seem good at this resolution. If the other validation
criteria, local and global, are ok, then I wouldn't worry too much about
this error anyway, since its estimation is not always reliable.
For example, as local validation use phenix.real_space_correlation to
plot map CC for each atom - this will give you the ideal local fit of
your model into electron density map. Use Molprobity for geoemtry
validations, etc.
Cheers,
Pavel.
On 3/14/09 12:24 PM, Maia Cherney wrote:
> Hi all,
> I am wondering why I am getting a large coordinate error of 2.17A in the
> phenix refinement of the structure that I earlier refined in CNS (2.4A
> resolution). Is it normal or why is it happening? How to fix it? Rwork
> and Rfree are 18% and 22%.
>
> Maia
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