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Figure 17
Experimental phasing results for Au derivatives of proteinase K. (a) Histograms of combined figure of merit (CFOM = CCall + CCweak) from SIRAS substructure determination with SHELXD for 10 000 trials, with data from two separate visits individually and combined. (b) Map contrast versus cycle number for density modification with SHELXE. Solid lines indicate the best hand, while dashed lines correspond to the inverted hand. (c) Histograms of combined figure of merit (CFOM = CCall + CCweak) from SAD substructure determination with SHELXD for 10 000 trials, with data from two separate visits individually and combined. (d) Anomalous peak heights calculated with ANODE. (e) The density-modified (blue) and heavy-atom substructure (orange) phases, contoured at 3σ, and poly-Ala traced model output by SHELXE after substructure solution with SIRAS.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 75| Part 3| March 2019| Pages 242-261
https://doi.org/10.1107/S2059798319003528
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