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![[Figure 1]](jm5003fig1mag.jpg)
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Figure 1
Macromolecular crystals. Given favourable kinetics, macromolecules can self-assemble from a metastable, supersaturated solution into crystals, a periodic network of macromolecules connected by weak but specific intermolecular interactions. The solvent content VS of this simple P4 crystal structure, PDB entry 2on8 (Wunderlich et al., 2007  ), is about 50%. The intermolecular regions are filled with dynamically moving solvent molecules, modelled as homogeneous bulk solvent §2.4. Its contributions to diffracted intensities are averaged over the entire molecule and over the time frame of a conventional diffraction experiment, with the dynamics of the solvent reflected in diffuse, non-Bragg scattering contributions. The region between the macromolecules and bulk solvent may contain distinct solvent density which can be properly modelled as a part of the crystal structure. The complex and dynamic transition region from the ordered molecules to the bulk solvent is not separately modelled at present. This figure is in essence a modernised version of Figs. 1 in Bragg & Perutz (1952) and Moews & Kretsinger (1975). |
![[Figure 1]](jm5003fig1.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
