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Figure 2
Comparison of calculated nuclear and electron densities at 2.0 Å resolution. Nuclear and electron densities are shown in cyan and magenta, respectively. (a) Nuclear and electron density for a tautomer of neutral histidine where Nδ1 is deuterated. The negative scattering of the two H atoms bonded to the Cβ of the side chain has cancelled out the nuclear density at this point. (b) Nuclear and electron density for a tautomer of positively charged histidine where both Nδ1 and N2 are deuterated. (c) Nuclear and electron density calculated for a water molecule. All densities are contoured at 2σ. The densities were calculated in PHENIX (Adams et al., 2009BB1). H and D atoms are shown in green and white, respectively.

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ISSN: 2059-7983
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