Figure 2
An example of a multimodal SIGD with three modes: PDB entry 5tu8 with disorder at both ends of the molecule causing multimodality in the ADP distribution. Presumably, in this case the whole crystal exhibits disorder. (a) Gaussian mixture model for peak-height distribution. (b) The mixture of SIGDs. (c) Continuous crystal for PDB entry 5tu8 showing disorder. The molecule in the asymmetric unit has been coloured for each cluster: from blue through magenta to red for low to high disorder. (d) An enlargement [marked by an oval in (c)] of the end of the molecule shows the presence of some positive density, although it would be a challenge to model it. |