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Figure 6
Top 25 specific damage sites calculated by RIDL (Bury & Garman, 2018BB14) and presented as red spheres. The radius of each sphere is proportional to the Dloss metric calculated by RIDL, which indicates the maximum electron density loss in the local region of each atom in XI for the Fobs,n − Fobs,1 Fourier difference map associated with each higher dose data set n. (a) The specific damage sites for Fobs,2Fobs,1 and (b) for Fobs,7Fobs,1. The increase in the damage with increasing dose is clearly visible, especially at the active site and the surroundings of the catalytic (M2) and stabilizing (M1) metals which are shown as violet spheres. For those residues with dual conformations, the highest occupancy positions were analysed.

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