On Wed, Oct 21, 2009 at 6:20 AM, Katja Schleider <katjaschlei...@yahoo.de>wrote:

> I solved my first crystalstructure and now want to publish it. But how do I
> know the structure is ready for publication and deposition in the pdb. We
> can explain our theory with the structure but which factors I have to regard
> to publish nothing wrong or bad. Can anybody tell how many outliers are
> allowed as long as they are in a well defined density?


The Molprobity server suggests the following:

< 0.2% Ramachandran outliers
> 98% Ramachandran favored
< 1% Rotamer outliers
< 1% of residues with bad bonds
< 0.5% of residues with bad angles

(and the clashscore should be as low as possible.)

-Nat

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