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Figure 4
(Top row) Fourier electrostatic potential maps, calculated at (a) 4 Å resolution contoured at 0.195 Å−2 and (b) 0.7 Å resolution contoured at 0.425 Å−2, and (bottom row) Fourier electron-density maps, calculated at (c) 4 Å resolution contoured at 0.555 e Å−3 and (d) 0.7 Å resolution contoured at 1.465 e Å−3, for crambin (PDB ID 3nir) using TAAM (magenta) and neutral IAM (blue). Contour levels, displayed on an absolute scale, were set to the midpoint between the levels corresponding to 1.5 root-mean-square deviation in the IAM and TAAM maps. Note the difference in units between the Fourier electrostatic potential maps (Å−2) and electron density (e Å−3). (The unit of electron structure factors is the ångström, as defined in International Tables for Crystallography and adopted by DiSCaMB and cctbx. Consequently, the Fourier electrostatic potential map has units Å/Å3 = Å−2.)

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 59| Part 2| April 2026| Pages 662-672
https://doi.org/10.1107/S1600576726000828
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