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Figure 7
Two methods for fitting the mosaicity and mosaic block size. Δψ values for bright spots from a single thermolysin still image (blue circles) are plotted as a function of the diffraction angle 2θ, which is inversely related to the resolution d by Bragg's law. A wider spread of Δψ values is observed at low 2θ. The best integrated intensities are obtained by finding the function Δψmodel (green curve) that minimally envelopes the spots. (16)[link] breaks Δψmodel into a resolution-dependent term containing the effective mosaic block size Deff (inner red curve) and a peripheral zone of constant width determined by the effective mosaic spread η. Alternate algorithms determine these parameters either by (a) least-squares fit of the |Δψ|max values determined for resolution bins or (b) maximum-likelihood treatment of all of the data. Approach (b) consistently gives more realistic fits with smaller η and larger Deff values. Plots reflect refinement results from protocol 6 (Table 2[link]).

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
Volume 70| Part 12| November 2014| Pages 3299-3309
doi:10.1107/S1399004714024134
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