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Figure 4
Structure of the novel HEWL polymorph obtained by 3D ED and comparison with the reported structure with PDB code 1b2k. (a) 2Fo − Fc map obtained by molecular replacement using the collected 3D ED data and the HEWL polyalanine model. The quality of the phasing is shown by the map (1σ) extending beyond the polyalanine model (C atoms in orange) and by the superposition of the final refined HEWL structure coordinates (C atoms in cyan). (b) The map (1σ) obtained by reducing the structural model bias (exclusion of the missing Fobs) is locally in agreement with the side-chain orientations despite the partial distortion of the map. (c) Quality of the final (1σ) map obtained by filling the missing Fobs with Fcalc in the region shown in (b). (d) Superposition of the refined structure coordinates (subunit A) with those of the monoclinic structure with PDB code 1b2k (subunit A) shows a relevant conformation difference in the region of the Pro70-loop (arrow).

IUCrJ
Volume 6| Part 2| March 2019| Pages 178-188
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518017657