 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 5]](rr5077fig5mag.jpg)
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Figure 5
DEN refinement of photosystem I at 7.4 Å resolution illustrates that refinement at such low resolution is meaningful. (a) The crystal structure determined to 2.5 Å resolution (PDB entry 1jb0 ) is shown in gray. A perturbed starting model (blue) was used for the refinement tests. (b) Segmented rigid-body refinement followed by `standard' refinement (200 steps of conjugate-gradient minimization against Etarget with wDEN = 0) yielded a structure that is relatively far away from the correct solution and that has poorly defined secondary structure. (c) Segmented rigid-body refinement followed by DEN refinement yielded a structure (red) that is very close to the high-resolution structure (PDB entry 1jb0 ). (d) The best ten models (in terms of Rfree) of refinement protocols that used segmented rigid-body refinement followed by DEN refinement from the two-dimensional grid search shown in Fig. 1 of Brunger, Adams et al. (2012  ). Blue, initial model. Gray, high-resolution crystal structure (PDB entry 1jb0
). The best ten models are shown in different colors in the magenta/red range. |
![[Figure 5]](rr5077fig5.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
