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![[Figure 3]](qu5006fig3mag.jpg)
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Figure 3
PDB entry 8ewh (2.33 Å resolution, two copies in the asymmetric unit, space group P21). (a) shows the unmodified AF2 prediction (coloured by pLDDT) aligned with the crystal structure (white) using GESAMT to perform the alignment (r.m.s.d. 2.5 Å). MR using the full predicted model was not successful. (b) shows the alignment with the true structure of a four-way split of the AF2 prediction after it has been truncated to residues with pLDDT ≥ 70. The Birch clustering method employed in SnD was used to cluster the Cα atoms into the four clusters. Phaser successfully placed all eight fragments making up the two copies of the molecule in the asymmetric unit with a final LLG of 3458. TFZ values for each placed fragment are shown. To illustrate their accuracy, the r.m.s.d. for each split fragment to the crystal structure is also shown. The solution was then refined using 100 cycles of jelly-body refinement in REFMACAT, giving an R and Rfree of 0.29 and 0.33, respectively. The solution was further improved to an R and Rfree of 0.24 and 0.30, respectively, by automated model building using ModelCraft. This gave a global map CC of 0.772 when compared with the map generated from the deposited data. |
![[Figure 3]](qu5006fig3.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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