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Figure 2
Cluster outcomes for multi-data set BAZ2BA. (a) Matrix plot showing relationships between data sets in reciprocal space according to Section 2[link]. The cluster was separated in reciprocal space into two groups. (b, c) Matrix plots for subgroups plotted against the same average values calculated from all data sets. (b) corresponds to cluster A and (c) corresponds to cluster B in the main text. (d) Plot showing the second, third and fourth major axes of the SVD plot, showing separation of the two groups, which could be manually subdivided by splitting across the second axis. (e) shows separation in real space as a result of these reciprocal differences, plotting all Cα atoms in the structure. Blue corresponds to the data sets in cluster A and purple denotes those in cluster B. (f) Unit-cell deviations in the a and b axes from the average values across all data sets. (g, h) PanDDA background-corrected event maps in blue (2σ) and Z-map with positive values in green and negative values in red (±3σ) for (g) a newly identified hit from x447 and (h) a newly identified hit from x557.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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