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![[Figure 5]](yr5110fig5mag.jpg)
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Figure 5
The `SHELX' tab. The programs SHELXC, SHELXD, SHELXE and SHELXL are presented in different collapsible sections from top to bottom in the logical sequence of events. The label on the tab is green, indicating the run is in progress, in this case the solution of apoferritin 2g4h (Mueller-Dieckmann et al., 2007  ). After data preparation with SHELXC and location of four Cd sites with SHELXD, phasing, density modification and model building are performed by SHELXE. The interface allows the user to modify the values inherited from the preceding programs or defaults or to introduce new parameters. In this case a partial structure is introduced as a PDB-format file with the extension .pda to be combined with the experimental phases. The output in the bottom left-hand window shows how SHELXE transforms the substructure to the consistent hand and origin fixed by the partial structure, which accounts for the results from the original and inverted substructures being identical, as seen in the right-hand plot. A Cα trace can be displayed as tracing progresses, or Coot can be called through the corresponding buttons to show the final map and model. A sequence was provided and side chains have been docked and traced. |
![[Figure 5]](yr5110fig5.jpg)
 | JOURNAL OF APPLIED CRYSTALLOGRAPHY |
ISSN: 1600-5767
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