Figure 2
The crystal packing, tNCS and lattice-translation disorder in crystal form B. The two monomers related by tNCS, which form the asymmetric unit of an ordered P21212 crystal domain, are shown in red and blue. The tNCS vector corresponds to the largest non-origin Patterson peak. There are two distinct packing possibilities for two adjacent vertical rows of tetramers. The tops of the tetramers from one row can pack against the bottoms of the tetramers from another row, as shown for the magenta and cyan rows, respectively. Alternatively, the tetramers from these rows could pack bottoms against tops, with the magenta row shifted down along z by 24 Å. The shift vector td is shown by the red arrow and corresponds to the second largest non-origin Patterson peak. In the first approximation, the contacts between rows are geometrically identical in the two packing modes although made by different pairs of tetramers. This packing ambiguity is responsible for translocation defects with translocation vector td. |