FIGURE 2.
Localization of pyrabactin molecules in the structure. A, “omit” electron density maps for pyrabactin are shown. There are two PYL1 molecules (colored green and blue for Mol A and Mol B, respectively) in each asymmetric unit. The omit electron density map for pyrabactin in Mol A, shown in brown mesh, is contoured at 3σ. A stereo view is shown in the inset. The position of the bromide atom is localized by the anomalous signal, shown in magenta mesh and contoured at 3σ. B, anomalous signal of bromide facilitated the correct localization of pyrabactin in the pocket of PYL1. The diffraction data were collected at the peak wavelength of bromide. One major anomalous signal (magenta) was observed in the pocket of each PYL1 molecule. Pyrabactin molecules are shown as yellow sticks. C, 2Fo − Fc electron density map of pyrabactin and two adjacent water molecules in Mol A in the 2.4 Å structure is shown. The map, shown in green mesh, is contoured at 2σ. All structure figures were prepared with PyMOL.
