Hydrogen in macromolecular models: Difference between revisions

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 * '''Example:''' The X-ray model of a tyrosine kinase SH2 domain [[1lkk]] at 1.0 Angstrom resolution contains 901 hydrogens and 920 non-hydrogen protein atoms (ratio 0.98, 49%), so approximately all of the hydrogens actually present are assigned positions.
-* '''Example:''' The X-ray model of a domain from CD11a [[1lfa]] at 1.8 Angstrom resolution contains 639 protein hydrogens and 2,939 non-hydrogen protein atoms (ratio 0.22, 17.9%). Only the polar hydrogens are present in the model. Since they could not be resolved at the resolution of this crystal, they were supplied by theoretical modeling after the heavy atoms were positioned according to the [[electron density map]]. All 312 waters are modeled as H<sub>2</sub>O.
 ===Theoretically-Positioned Hydrogens in Average-Resolution Crystallographic Models===