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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 2mFo − DFc map (blue) is contoured at 1.5σ and the mFo − DFc 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.

IUCrJ
Volume 1| Part 3| April 2014| Pages 179-193
ISSN: 2052-2525
doi:10.1107/S2052252514005442