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Figure 4
The deposited structure (PDB entry 6qhp) (a) and the various QR structures of the 2.3 s state of fluoroacetate dehalogenase. All structures show the active site of the A chain and are described in Table 1[link]. (c)–(i) illustrate the QM region used in QR. The different conformations are colour-coded with the C atoms in dark green, light green, magenta and brown, respectively. The mFo − DFc difference maps are contoured at +3σ (green; no significant negative differences are seen in the structures).

IUCrJ
Volume 13| Part 6| November 2026| Pages 828-842
ISSN: 2052-2525
https://doi.org/10.1107/S2052252526009486