Re: [phenixbb] on the protonation state of HIS

Hi,

There may be PDB files which shows different protonation state of HIS, at least there is PDB file shows double protonated HIS. At which resolution of the crystalcan allow us to distinguish different protonation states of HIS?

an example: M. Blakeley, F. Ruiz, R. Cachau, I. Hazemann, F. Meilleur, A. Mitschler, S. Ginell, P. Afonine, O. Ventura, A. Cousido, M. Haertlein, A. Joachimiak, D. Myles & A. Podjarny. Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase. (2008). PNAS. 105, 1844-1848. Pavel