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Figure 5
Variation of soaking times and concentration can be used to improve the visibility of the ligand. Plots showing the number of ligands detected (strong, medium and weak binding ligands) as a function of (a) concentration or (b) time after crystal soaking using acoustic transfer (from 100 mM stock). The concentration series in (a) were soaked for a fixed time of 4 h, while the time series in (b) were soaked at a fixed nominal concentration of 20 mM. Soaks were performed in duplicate for each condition, leading to 30 X-ray diffraction data sets for (a) and 36 data sets for (b). (c) Electron-density maps (PanDDA maps: event maps are shown in blue at 2σ, Z-maps are shown in green/red at ±3σ; 1.3–1.4 Å resolution) from the minimum experimental conditions (time or concentration series) required to detect ligand binding. The maps are generated prior to refinement of the ligand with the model. The ligand coordinates have been modelled into the electron-density maps for clarity. The PanDDA reported background density correction (BDC) values are shown (Pearce et al., 2016BB20).

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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