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. 2000 Mar 21;97(8):3872–3877. doi: 10.1073/pnas.060024697

Figure 2.

Figure 2

Deuterium (hydrogen) atoms can be located directly as positive peaks in 2Fo−Fc maps as illustrated by residue Phe-43. (A) The 2Fo−Fc x-ray map of fully deuterated Mb using 6.0- to 1.5-Å data, contoured at +1.0 σ (0.84 e-/Å3). (B) A 2Fo−Fc neutron map on unlabeled Mb (19) calculated to 2.0-Å resolution, with the pink map contoured at 1.0 σ and the blue map contoured at −1.0 σ. (C) An Fc neutron map generated by using equivalent experimental reflections in 6.0 to 2.0 Å calculated from the current protein model except that D was replaced with H. The pink map is contoured at +1.0 σ; the blue map is contoured at −2.0 σ. (D) The 2Fo−Fc neutron map of fully deuterated Mb using 6.0- to 2.0-Å data, contoured at +1.0 σ (1.03 fermi/Å3).