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![[Figure 1]](ap5033fig1mag.jpg)
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Figure 1
The workflow for long-wavelength Mesh&Collect native SAD phasing data collection from ConA microcrystals and structure solution. (a) ConA microcrystals scooped onto a mesh. The scan grid is drawn to indicate the region of interest with MXCuBE2. Grid squares are sized to 15 × 15 µm according to the beam cross-section selected. (b) The wavelength is selected to optimize the expected Bijvoet ratio for the protein. (c) A grid scan is performed on the sample; each grid point is scored for diffraction and the result is presented as a heat map within MXCuBE2. (d) Heat-map colours from dark red (low) to yellow (high) represent the diffraction intensity as a function of position within the region of interest; white crosses mark the positions (x, y) that have been selected and used for the collection of partial data sets. For x and y, the unit is the beam size. Positions for partial data collections and common data-collection parameters are selected for each data point and the data-collection queue is launched. (e) Partial data sets are automatically processed with XDS and selected with the GA (Zander et al., 2016  ) to produce an optimized final data set for structure solution based on the optimization of I/σ(I), Rmerge and CC1/2. (f) Plot of 〈Δano/σΔano〉 versus resolution for the GA-optimized final data set. (g) Scatter plot of CCweak versus CCall from SHELXD. (h) Refined model. Location of anomalous scatterers, phasing and refinement follow. |
![[Figure 1]](ap5033fig1.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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