Figure 6
R-factor analysis between the calculated and experimental hologram patterns. (a) R-factor as a function of the relative mean-square displacements, 〈u2〉Rel, of the scatterer atoms used in the Mn Kα hologram calculations. (b) Calculated hologram with 〈u2〉Rel = 0.35 Å2 and (c) the experimental hologram. The dashed white lines are visual guides for features discussed in the text. Circular marks indicate the FS directions of Mn (purple) and Ca (green) scatterers calculated from each Mn emitter from PDB entry 3wu2. |