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. 2024 Oct 2;11(5):054701. doi: 10.1063/4.0000265

FIG. 8.

FIG. 8.

Sulfur and iodine anomalous signal from a hen egg white lysozyme (HEWL) crystal soaked with NaI. (a) Anomalous peaks at 1440 frames contoured at 4σ (within 1.6 Å of model atoms). Phases and model: PDB ID 9B7C. Yellow spheres: sulfur atoms; purple spheres: iodide ions. (b) CCanom as a function of resolution bin after 1440 frames. (c) CChalf as a function of resolution bin after 1440 frames. (d) Anomalous peak heights for each of the five ordered iodine atoms (purple) and ten sulfur atoms (yellow) present in the HEWL structure. (e) Anomalous peak heights vs frame numbers for the IOD 4 (purple) and Cys80 (yellow) atoms. Fits were obtained as described in Ref. 53 and take the form y=a/1+b/x, where a and b are fitting parameters and x is the number of frames.