On Mon, 2012-03-26 at 16:30 +0200, herman.schreu...@sanofi.com wrote: > It is like with Heisenbergs uncertainty principle. Either one has a > complete model with a number of atoms having a coordinate uncertainty > of 4-6 Å, or one has a model where the uncertainty of all atoms is > below say 0.5 Å, but with a lot of truncated side chains with clearly > contradict available biochemical evidence.
Excellent analogy. I am not sure why truncated arginine (as long as it is not renamed to alanine) contradicts biochemical evidence though. Termini are routinely truncated, no problem there. I have plenty of biochemical evidence that there are more waters in the crystal than I model. If the truncated model contradicts biochemical evidence, the projected model contradicts crystallographic evidence. I agree that a truncated model may lead to interpretation problems, and thus the option of depositing a projected model resolves that. Cheers, Ed. -- Oh, suddenly throwing a giraffe into a volcano to make water is crazy? Julian, King of Lemurs