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Figure 7
The 2mFoDFc nuclear density maps for selected residues from each integration method. Left: Ser86 from the E166Q β-lactamase data set at 1.5σ shows that profile fitting recovers density for the OD of the carboxyl group. Middle: Asn55 from the PsbO data set and nearby water molecules at 1.1σ. With increased accuracy, profile fitting allows clear separation between the top water molecule and the residue. The water to the right, marked by crosses, is visible at lower σ (see Supporting information) Right: Phe28 from the PaPth1 data set at 1.9σ. It is clear that profile fitting recovers the nuclear density of the phenyl group. Densities at different σ levels are shown in the Supporting information.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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