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Figure 5
Structural response of AcNIR to X-ray-induced reduction. (a) 2Fobs − Fcalc electron-density map (blue) contoured at a 1.0σ level and superimposed on the corresponding refined structure (grey) at increasing absorbed doses [minimum (PDB entry 9t6q), medium and maximum (PDB entry 9t6u)] at CT. The bridging water molecule is labelled wBR. (b) Fobs(n) − Fobs(1) Fourier difference maps corresponding to dose points 166.5 and 832.5 kGy at CT contoured at a ±3.5σ level (orange, negative; blue, positive) and superimposed on the refined 33.3 kGy structure (PDB entry 9t6q). (c) 2Fobs − Fcalc electron-density map (blue) contoured at a 1.0σ level and superimposed on the refined model (grey) at increasing absorbed doses [minimum (PDB entry 9t6o), medium and maximum (PDB entry 9t6p)] at RT. (d) Fobs(n) − Fobs(1) Fourier difference maps corresponding to dose points 29.8 and 149.0 kGy at RT contoured at a ±3.5σ level (orange, negative; blue, positive) and superimposed on the refined 14.9 kGy structure (PDB entry 9t6o). |

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