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Figure 5
The Fo − Fc electron-density map showing one of two HDS ligands bound to lyase (PDB code 1lpp ). (a) The medial axis (cyan) is clearly visible through the head group and much of the aliphatic region at the 3σ level. (b) The thinned medial axis (cyan) has a branched region for the head group and a linear region for the hydrocarbon chain; the best model (green) closely follows the medial axis. (c) The best structure from the medial axis method (green) matches the deposited structure (gray) throughout the region where the medial axis was visible. (d) The ARP/wARP model (magenta) is built correctly over only part of the ligand (deposited structure, gray). |