Figure 3
Two Br atoms (red) were found in the SAD experiment for set A (a) and set B (b). Each protein and ligand atom can be identified in the electron density. The first bromine site matches the covalently attached bromine position in the inhibitor-shaped density. The second bromine site agrees with an adjacent density peak. (a) The initial polyalanine chain (blue) with the corresponding 2Fo − Fc map of the SHELXE run is displayed. (b) The initial polyalanine chain (yellow) superimposed with the refined final protein residues (blue) of set B. The initial 2Fo − Fc map as a result of the SHELXE run is displayed at 1.5σ. |