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Figure 4
OMIT maps for detecting the electron-density peaks of the nucleophilic water molecule coordinated to the metal ion at site A in the structures at (a) 0 s, (b) 25 s, (c) 40 s and (d) 60 s. The maps of the 0–60 s structures were prepared with the model of an intact DNA, whereas the 230 s structure was prepared with the cleaved DNA model for phase calculation. The map of the 230 s structure shows that the water molecule has become part of the phosphate group, while remaining coordinated to the manganese ion at site A. Electron-density contours are shown at 3σ (green) and 6σ (cyan).

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 71| Part 2| February 2015| Pages 256-265
https://doi.org/10.1107/S1399004714025188
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