One more to add to Ed's list: highly accurate ultra-high resolution structures may allow calculation of electrostatic potential around protein ligand binding site. There are plenty of reference...
Pavel On Tue, Jan 10, 2012 at 11:04 AM, Ed Pozharski <epozh...@umaryland.edu>wrote: > On Tue, 2012-01-10 at 18:30 +0000, Theresa H. Hsu wrote: > > Thank you for the interesting replies so far. > > > > Please let me ask a related question - at what resolution should we stop > efforts to get better diffracting crystals? Are there *biological* > questions that a model with 1.8-2.0 A resolution (with combination of > complementary methods like spectroscopy) cannot answer than a model with < > 1 A? > > > > Theresa > > Most of the time one does not need ultrahigh resolution to answer a > "biological question". Some examples of the opposite: > > 1. Anisotropic B-factors may provide some insight regarding > directionality of the protein dynamics > 2. Unrestrained refinement at ultrahigh resolution allows to delineate > protonation states (e.g. by looking at the covalent bonds, sometimes you > can convince yourself that the density corresponding to the hydrogen is > actually present) > 3. Alternate conformations may be clarified. > 4. Improved precision allows to correlate changes in hydrogen/metal > bonds to enzymatic activity. > > What, in broad terms, is your "biological question"? Knowing that would > allow for a more specific answer. > > Cheers, > > Ed. > > > -- > "Hurry up before we all come back to our senses!" > Julian, King of Lemurs >
