[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.


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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