Hi,
for example, these qualities below will tell me something about your model:
1. Rfree, Rwork overall and shown in resolution shells;
2. Geometry statistics:
- overall rmsd's bonds, angles, ...;
- Molprobity statistics/scores;
- histograms of deviations from ideal bonds, angels, ...;
3. Plot of local density correlation (map CC) reported per residue/atom,
as well as mFo-DFc and 2mFo-DFc map values reported per residue/atom;
4. POLYGON picture showing where your model stands w.r.t. similar ones
available in the database (Acta Cryst. D65, 297-300 (2009)).
For example, all the above you can get in PHENIX using "Comprehensive
validation" tool.
Pavel.
On 1/18/10 8:00 AM, james09 pruza wrote:
Dear all,
What are the standard methods for the crystallographic model judgment?
What parameters should be included in the final refinement statistics
in relation to the model error? What is Cruinkshank DPI and how can it
be calculated and what information it gives about the quality of the
model?
Thanks in advance for the suggestions.
J.
