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Figure 6
How radiation damage affects the quality of protein–ligand binding properties. (a) Polar contacts between HCA II and its inhibitor AZM. (b) The quality of the density maps around the HCA II:AZM complex and zinc atomic B factors. 2mFo − DFc maps are shown as blue meshes with a contour level of 1.5σ above the mean. mFo − DFc difference densities are shown in green and red for positive and negative density, respectively, contoured at 3σ above and below the mean. The 1-10F (6.75 MGy) structure shows some signs of incompleteness, while the 21-35F and All F structures exhibit signs of radiation damage as judged from 2mFo − DFc maps and increased mFo − DFc features. The 1-20F data set is more complete with low signs of radiation damage and has the lowest isotropic B factor for the active-site zinc metal. The electron doses are as specified in the figure. |
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