Depends on what you call a "solved structure".
For deposition to the pdb ideally there should be very little clashes like Nat writes.
But perhaps you are referring to the clash score just after molecular replacement, like that output by Phaser or Molrep?
There it really depends, there is no hard-and-fast rule.
For a globular structure and with a very homologous seach model, the expected clash score is very low.
For a very intertwined structure and/or less structural homology, you may have a large number of clashes and still have found the correct solution.
The proof is in the pudding, if it refines well and you can see difference density for side-chains or regions that should be different, then you have found a correct solution, i.e. a "solved structure".
Mark J van Raaij
Laboratorio M-4
Dpto de Estructura de Macromoleculas
Centro Nacional de Biotecnologia - CSIC
c/Darwin 3
E-28049 Madrid, Spain
tel. (+34) 91 585 4616
http://www.cnb.csic.es/~mjvanraaij
On 8 Nov 2012, at 01:26, Nat Echols wrote:
> On Wed, Nov 7, 2012 at 4:02 PM, Meisam Nosrati <[log in to unmask]> wrote:
>> I want to know what is considered an acceptable Clash Score for a solved structure.
>
> The recommendation from MolProbity is less than 10. If you have
> low-resolution data and don't have a high-resolution starting model,
> it could be a little higher, but I would really put 20 as the maximum,
> and I think it should still be possible to lower it without too much
> effort.
>
> -Nat
|