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Figure 9
Quantum-refined structures of acetylcholine esterase phosphonylated by sarin in the (a) P0 and (b) P3 protonation states, using [\varepsilon] = 80. The mFo − DFc difference maps are contoured at +3σ (green) and −3σ (red). The green arrows indicate the position of the moved proton.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 77| Part 6| December 2021| Pages 906-918
https://doi.org/10.1107/S2052520621009574
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