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Figure 1
Selected residues from the structure of proteinase K (PDB entry 3i34 ) accompanied by electron-density maps obtained from the Uppsala Electron Density Server (EDS) (a, d, g), the PDB_REDO server (b, e, h) and after manual rebuilding and refinement of the model by the present authors (c, f, i). The 2mFoDFc map (blue) is contoured at 1.5σ and the mFoDFc map at ±2.0σ (positive contours, green; negative contours, red). (a, b, c) His69 and a spurious Hg ion; (d, e, f) Gln54 with the maps in (f) calculated prior to the introduction of the second conformation of this residue; (g, h, i) Asp207, which is represented as Ser207 in the deposited structure. The purple and red spheres represent dubious Hg and water sites included in the original and the PDB_REDO models, respectively.

Volume 1| Part 3| April 2014| Pages 179-193
ISSN: 2052-2525