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Figure 5
Scattering profile simulations based on MD snapshots of (a) a detergent micelle and (b) the truncated KcsA–detergent micelle complex. Corresponding X-ray scattering curves are given as red dots with error bars. The scattering from a single detergent (decyl-β-D-maltopyranoside) molecule is also displayed (black curve). The inset to (a) shows the micelle consisting of 94 detergent molecules and taken as snapshot after a 25 ns MD simulation with a diameter of about 60 Å. In contrast, the protein–detergent micelle comprises the truncated KcsA K+ channel (residues 1 to 124) enveloped in 138 detergent molecules. The structure was taken after a 10 ns simulation including the predicted helical KcsA N-terminal segment. The view shown in the inset to (b) is perpendicular to the channel's symmetry axis. Molecular graphics drawings were made with the program PYMOL (https://pymol.sourceforge.net).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 40| Part s1| March 2007| Pages s217-s222
doi:10.1107/S0021889807005821
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