Figure 3
(a) The electron density seen in the active site of independent molecule A after refinement; there are similar interactions in molecules B, C and D (not shown). The light blue chicken-wire nets are the 2Fo − Fc Fourier map with a cutoff of 1σ, while those in green are the Fo − Fc difference map at +3σ cutoff and −3σ cutoff. The ligand, PCA/DHB, is drawn with yellow C atoms and salicylaldehyde dehydrogenase residues are drawn with magenta C atoms; water molecules are shown as red spheres. (b) A representation of the difference electron-density map (Fo − Fc) is shown as a green chicken-wire net after refinement of the structure without the ligands of the four independent molecules. The map was drawn at a 3.0σ level at the ligand-binding site of molecule C (which shows the highest difference density peak in the difference map). The protein is shown in stick representation, while the position of the ligand in the complex structure is shown in line representation for comparison. A cutoff of 3.5 Å radius around the ligand atoms was used in drawing the difference map. |