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Figure 2
Comparison of local-scaled, anomalous-optimized data with global-scaled data. (a) Average fractional anomalous difference [〈|ΔF|/F〉] versus resolution for 28-crystal (black), 23-crystal (orange), 18-crystal (green) and 14-crystal (blue) data sets merged with phenix.scale_and_merge (solid lines) or AIMLESS (dashed lines). 〈|ΔFcalc|/Fcalc〉 were from the refined model (PDB entry 4tpl ) with intact disulfides (solid red lines) and with artificially broken disulfides (dashed red lines; S atoms were moved by changing each Cys rotamer). (b) Cumulative CCano between ΔFobs for merged data and ΔFcalc from the refined model. (c) CFOM (CCall + CCweak) of the best solution among 10 000 SHELXD trials at each limiting resolution. There is no plot for the global-scaled 28-crystal data because SHELXD failed to find any solutions.

Journal logoSTRUCTURAL
ISSN: 2059-7983
Volume 72| Part 3| March 2016| Pages 296-302
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