Dear Ed,
What is the pH of your crystallization buffer? If it is acidic, either the
azide or the carboxylate may be protonated. Also the local environment of the
carboxylate can make a hugh difference in PKa. You could also use some Bayesian
logic: given the elongated linear density, what else
Dear CCP4BB,
The most likely components are those at the highest concentration in the
crystallization
or cryosolution.
And a few wild ideas to continue the discussion that is very important as
the ligands are
always very difficult to identify.
Example: If you have 1.5 M ammonium sulfate
Thanks all,
the pH is 6.7, azide is 3 mM, and there is no added ammonium.
I could get away with modeling as two waters since the separation is well above
the 2.2A that gets flagged as a clash in the PDB, still it's close enough
to suggest that two waters is not really what's there.
Enrico Stura
in minutes if the compound is
not present in solution.
Best,
Herman
-Ursprüngliche Nachricht-
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Edward
A. Berry
Gesendet: Montag, 8. Juli 2013 15:31
An: CCP4BB@JISCMAIL.AC.UK
Betreff: Re: [ccp4bb] AW: [ccp4bb] help
