view article

Figure 2
Automated refinement of PDB entry 1jkt with the LORESTR pipeline and comparative structural analysis using ProSMART. The figure shows superposition of the model with PDB entry 1jkt before and after automated re-refinement (the corresponding refinement statistics are shown in Table 1[link]). Both structures are coloured according to local backbone deviation using ProSMART (as described by Nicholls et al., 2014BB44). This representation allows quick and easy visual identification of exactly which regions have changed during re-refinement. The colour gradient indicates local backbone r.m.s. deviation in the vicinity of each residue; residues coloured yellow retain their conformation, whilst those coloured red exhibit substantial structural changes during refinement. Two regions that have undergone dramatic local structural changes are highlighted by grey ovals. In practice, the electron-density maps in such regions would be manually inspected in order to assess the reasons for such changes to the model and to determine how best to proceed with further model building and refinement. The figure was prepared using CCP4mg (McNicholas et al., 2011BB37).

Journal logoSTRUCTURAL
ISSN: 2059-7983
Follow Acta Cryst. D
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds