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Figure 1.
Fig. 1. Electron density maps showing the location of ligands
bound in the L99A cavity. Maps have amplitudes (F[obs,complex]
– F[obs,L99A]) and phases from the refined structure of L99A.
Resolution as in Table 1; maps contoured at 3.0σ. (a) C[6]H[6],
ligand in dark blue. (b) C[6]F[6], fluorine atoms in green. (c)
C[6]HF[5]. An alternative binding mode, not shown, is rotated
60° clockwise. (d) Stereo figure superimposing the C[6]F[6]
complex (carbon atoms in orange, fluorine in green) on that for
C[6]H[6] (atoms in blue). The side chain of Met102 is at the top
left with the sulfur atom in yellow. All figures were rendered
with PyMOL [http://www.pymol.org].
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