view article
Figure 1
The electron density of six Pgp mutants and localization of BDE-100 by X-ray crystallography. Stereoviews are from the extracellular side perpendicular to the membrane. The blue mesh represents 2mFo − DFc density (B factor sharpened by 50–75 Å2) contoured to 1.0σ. The magenta mesh represents anomalous difference Fourier electron density from the Br atoms of BDE-100 using X-ray data collected at the bromine anomalous absorption peak (13.48 keV). Contour levels are as follows: 5.5σ for C952A, 5.0σ for F979A, 4.0σ for F724A, 3.8σ for F728A and 4.2σ for Y303A and Y306A. BDE-100 in each structure is shown in stick representation with Br atoms colored red. Phe974, which undergoes a disorder-to-order transition upon binding in site 2, is labeled in all six panels. The corresponding side views are shown in Supplementary Fig. S1.

IUCrJ
Volume 7| Part 4| July 2020| Pages 663-672
ISSN: 2052-2525
https://doi.org/10.1107/S2052252520005709