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Figure 6
(a) The mFo − DFc electron-density difference maps of the quantum-refined structures of PDB entry 6cdk with (a) wA = 1 (positive, green; negative, red) and wA = 10 (positive, purple; negative, orange), as well as (b) the original crystal structure (positive, green; negative, red). All maps are contoured at the ±2.5σ level. The P1+ state is shown with atomic colours and the P2+ state is shown in pale cyan. |
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