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. 2011 Aug 1;44(Pt 4):772-778.
doi: 10.1107/S0021889811016748. Epub 2011 Jun 8.

Fast fluorescence techniques for crystallography beamlines

Sergey Stepanov, Mark Hilgart, Derek W Yoder, Oleg Makarov, Michael Becker, Ruslan Sanishvili, Craig M Ogata, Nagarajan Venugopalan, David Aragão, Martin Caffrey, Janet L Smith, Robert F Fischetti

Fast fluorescence techniques for crystallography beamlines

Sergey Stepanov et al. J Appl Crystallogr. .

Abstract

This paper reports on several developments of X-ray fluorescence techniques for macromolecular crystallography recently implemented at the National Institute of General Medical Sciences and National Cancer Institute beamlines at the Advanced Photon Source. These include (i) three-band on-the-fly energy scanning around absorption edges with adaptive positioning of the fine-step band calculated from a coarse pass; (ii) on-the-fly X-ray fluorescence rastering over rectangular domains for locating small and invisible crystals with a shuttle-scanning option for increased speed; (iii) fluorescence rastering over user-specified multi-segmented polygons; and (iv) automatic signal optimization for reduced radiation damage of samples.

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Figures

Figure 1
Figure 1
Implementation of on-the-fly fluorescence scanning. ‘CS’ denotes coordinate system.
Figure 2
Figure 2
Fit of the absorption edge position using coarse energy scan data.
Figure 3
Figure 3
Scan tab layout of the JBluIce GUI. The Interactive mode of operation is shown. The right pane displays a fluorescence spectrum with user-adjustable ROI margins marked by the two bars (step 5).
Figure 4
Figure 4
Automatic scanning controls on the Scan tab of the JBluIce GUI. The right pane displays the periodic table from which an edge of interest is selected.
Figure 5
Figure 5
Comparison of (a) the step mode and (b) the shuttle on-the-fly mode of fluorescence rastering for a properly tuned horizontal drive. The cell and the beam size are 20 µm.
Figure 6
Figure 6
JBluIce controls for fluorescence rastering. The right pane shows the result of rastering over a polygon shape.
See this image and copyright information in PMC

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