Extended Data Fig. 9: iSFAC modelling enhances hydrogen signal.
From: Experimental determination of partial charges with electron diffraction
Hydrogen omit maps for tyrosine ((b), with iSFAC modelling; (c), without) and histidine ((e), with iSFAC modelling; (f), without) illustrate the enhanced signal of hydrogen with iSFAC modelling ((b) for tyrosine, (e) for histidine) compared with conventional modelling. OMIT maps are shown as isosurface maps at 3σ. Note: All protons in (a) and (d) were refined freely and unconstrained. (g) Hydrogen networking in tyrosine crystal packing.
