Figure 1
(a) A two-dimensional representation of the unit cell of volume V of a macromolecular crystal illustrating the ordered domain U which contains the macromolecule and the disordered domain V − U which contains the solvent. One-dimensional slices portray the different components in contrast-variation theory. (b) The variation of the electron density, ρ(r), in the macromolecular and solvent domains. (c) Indicator function of the ordered macromolecular domain U. (d) Indicator function of the disordered solvent domain V − U. (e) The electronic density of only the ordered domain U. This corresponds to the macromolecule in a vacuum. (f) The electronic density for both the macromolecule and solvent regions. Three different electronic densities of the solvent are represented by the three shades of grey. The contrast is shown for one of these. (g) The internal electronic density fluctuations inside the macromolecule. (h) The anomalous electronic density for both the MAD and MASC cases. |