[phenixbb] estimated coordinate error from phenix.refine

[Almudena Ponce Salvatierra]

Dear all,

I would like to know how the estimated coordinate error is calculated in
phenix.refine, the one that is written on the pdb file as "ML based".

I'm asking due to the following:

For example if I am comparing two different models (structures determined
at 2.1 and 2 Angstroms) but one does have a coordinate error estimate of
0.25 Angstroms and the other one of 0.6, respectively. Is the first model
more reliable? The second one is reliable too but my question points
towards how conservative or how more conservative should I be when
describing distances , potential H bonds, coordination. Despite those
different numbers in estimated coordinate error, the electron density maps
look very similar or almost the same for both structures, very clear and
complete at 2 Angstroms. That's why I was somehow surprised to find these
difference.

Thank you very much in advance

Best

Almudena



-- 
Dr. Almudena Ponce-Salvatierra
EMBL-European Molecular Biology Laboratory
71, avenue des Martyrs - CS 90181
F - 38042 Grenoble Cedex 9
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