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Density maps from ab initio and final refined model. Structures of Zn2+-NNQQNY (A), Cd2+-NNQQNY (B), GNNQQNY-P21 (C), and GNNQQNY-P212121 (D) are shown. Note that a majority of the peptide atoms were correctly placed by direct methods. The σA-weighted 2mFo − DFc maps (gray) are contoured at 1.8 σ. The σA-weighted mFo − DFc maps are contoured at +3.0 σ (green) and −3.0 (red) σ. Modeled water molecules are depicted as cyan-colored spheres.
