Hydrogen in macromolecular models: Difference between revisions
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High resolution protein crystallography (1.2 Ångstroms or less) can assign some hydrogen positions empirically from the electron density map, and very high resolution crystals (1.0 Ångstroms or less) can assign the positions of most hydrogens. | High resolution protein crystallography (1.2 Ångstroms or less) can assign some hydrogen positions empirically from the electron density map, and very high resolution crystals (1.0 Ångstroms or less) can assign the positions of most hydrogens. | ||
* '''Example:''' The X-ray model of a tyrosine kinase SH2 domain [[1lkk]] at 1.0 Angstrom resolution contains | * '''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. | ||
===Theoretically-Positioned Hydrogens in Average-Resolution Crystallographic Models=== | ===Theoretically-Positioned Hydrogens in Average-Resolution Crystallographic Models=== | ||
