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![[Figure 3]](gm5051fig3mag.jpg)
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Figure 3
(a) The radiation-induced temperature-independent reorganization of the main chain near the substrate-binding cavity for GI. The colour scheme is the same as in Fig. 1 ![[link]](../../../../../../logos/arrows/s_arr.gif) . All changes represented by the first ICA component are contoured at ±5σ, and all changes represented by the second ICA component are contoured at ±4σ. The panel on the left shows the first component of the ICA decomposition that corresponds to the specific temperature-independent radiation-induced changes. (b) Close-up of the changes in the water clathrate near the most affected area. Damage to Thr90, Thr91 and Thr119 and decarboxylation of Glu141 may induce rearrangements of water molecules that result in the movement of the main chain and side-chains near Trp137. The panel on the left shows this volume without electron density maps, while the panels in the middle and on the right show the maps corresponding to the first and second components of the ICA mapped on the same volume. (c) Two examples of the redistribution of specific radiation-induced effects with temperature that may have consequences for the map interpretation. The panel on the left shows the Tyr212 side-chain which undergoes transition to a new position in a temperature-dependent manner. The panel on the right shows the vicinity of WAT815. When both the first and second components of ICA show the same sign, i.e. the water molecule transitions towards Thr119 in this case, it means that the movement of electron density is attenuated with temperature. The changes around the OH of Thr119 have opposite signs. The temperature-independent changes represented by the first ICA component show the transfer of electron density represented by the OH position of Thr119 towards WAT815. The local anti-correlation with the second component indicates that this process is enhanced by temperature. |
![[Figure 3]](gm5051fig3.jpg)
 | JOURNAL OF SYNCHROTRON RADIATION |
ISSN: 1600-5775
