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Figure 5
(a) Comparison of the deposited (green) and the quantum-refined (atomic colours; largest QM system with wx = 3) structures of the CuD site in pMMO, together with the 2mFo − DFc map at 0.7σ. (b) Another projection emphasizing the change in the Cu—N distance to His245C.

IUCrJ
Volume 11| Part 6| November 2024|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524008406