Hello everyone, I have this strucuture I solved by Molecular replacement. It is a single mutant of previously solved enzyme. I started refining it and fit the ligand in a way that gives me the experimental stereochemistry. The final map 2mFo-2DFc looks great. After further examination I noticed, I have a carbonyl that does not seem to be bound to anything !!! I started looking at my average kick and SA composit omit-map prior to modeling in the ligand and now I am really lost. Could anyone help? Thank you
On Wed, 2011-03-09 at 11:17 -0500, Pompeu,Yuri Alexey Andreiw wrote:
I have a carbonyl that does not seem to be bound to anything !!!
If by this you mean that coot does not draw a bond connecting some atoms, then this http://www.mail-archive.com/[email protected]/msg19235.html may be helpful. I would still, of course, worry about bonds being too long, and it's possible that there is something wrong with your restraints file. In general, try to be more specific when you describe your problem, since what I am doing here is guessing the info you omitted. Good luck, Ed -- "I'd jump in myself, if I weren't so good at whistling." Julian, King of Lemurs
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Ed Pozharski -
Pompeu,Yuri Alexey Andreiw