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The data normally should be of high resolution. Unrestrained xyzB refinement
with ARP/wARP at lower resolution can potentially lead to a poorer quality density map.
The X-ray data should be complete, especially in the low resolution range
(5 Å and lower).
Ideally the X-ray data should have no low resolution
cutoff.
Typical symptoms of incorrectly scaled low angle data
when running ARP/wARP are slow convergence, higher R factor and R
and building an incomplete protein model (warpNtrace) or
too few solvent sites arp_solvent.
If the low resolution strong data are systematically incomplete (e.g. missing or
overloaded reflections), the density map, even in the case of a good model, is
usually discontinuous and is inconsistent with the model.
Because ARP/wARP involves updating on the basis of density maps, such discontinuity can lead
partially to slow convergence or
even non-interpretable maps.
A very common misconception is that you have to have experimental
phases to that resolution.
No! Though it would be advantageous, it is not at all a requirement.
You have to have native data to high resolution, do
a quick extension to around 2.5 Å by solvent flattening, and then
go on with ARP/wARP .
In general, the number of X-ray reflections should be at least 6 times higher than the number
of atoms in the model.
Next: Limitations
Up: Applications
Previous: Which application should I
Richard J. Morris
1999-12-22