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Figure 8
Identification of elemental ions. (a) The central atom has electron density comparable to water but displays the typical octahedral coordination of a metal ion. The coordination distances of 2.0–2.2 Å are compatible with Mg2+ ions isoelectronic with the surrounding waters. PDB entry 1gkb (Kantardjieff et al., 2002BB71). (b) An originally modelled water atom with improbably low B factors can be identified as Cl by electron-density peak height, coordination distances (3.1–3.7 Å) and its preference to bind to backbone N atoms and positively charged residues. PDB entry 1c8u (Li et al., 2000BB82). 2mFoDFc electron density is contoured at the 1σ level (blue) and the 5σ level (red). The figures are modified from Rupp (2009BB112).

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BIOLOGY
ISSN: 2059-7983
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