 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 1]](ba5131fig1mag.jpg)
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Figure 1
Improvement of model fit and electron-density map quality for the re-refined p97/VCP structure in complex with ADP·AlFx. A loop in D2, residues 530–570, is shown. Phase-combined σA-weighted 2Fo − Fc maps (blue mesh) were calculated using the ADP·AlFx diffraction data to 4.4 Å resolution and either (a) the final model (sticks) and refinement parameters from the original model (PDB code 1yqo ) and (b) the re-refined model (PDB code 3cf1 ). The refinement used the MLHL target function with the bulk-solvent correction as implemented in CNS v.1.2. B-sharpening was applied (Bsharp = −120 Å2). Note that although the backbone position of Met550 is shifted in the new models, the relative position of the sulfur is preserved and is in agreement with experimental selenomethionine data. Upon re-refinement the free R value improved by 5.2% (from 33.8% to 28.6%) and the R value improved by 3.9% (from 26.8% to 22.9%). |
![[Figure 1]](ba5131fig1.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
