Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned

Hadjidemetriou, K.; Coquelle, N.; Barends, T.R.M.; De Zitter, E.; Schlichting, I.; Colletier, J.-P.; Weik, M.

doi:10.1107/S2059798322007525

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 7
Extrapolated electron-density maps at four different pump–probe time delays calculated using refined models containing a C17 hydrocarbon molecule. Extrapolated electron-density maps, $[2mF_{\rm ext}^{\Delta t\_{\rm light}}]$ − $[DF_{\rm calc}^{\rm dark}]$ (1 r.m.s.d., blue) and $[mF_{\rm ext}^{\Delta t\_{\rm light}}]$ − $[DF_{\rm calc}^{\rm dark}]$ (+3 r.m.s.d., green; −3 r.m.s.d., red), calculated between the light and dark data sets with Δt = 20 ps (a, e), 900 ps (b, f) and 300 ns (c, g) at 2 Å resolution and 2 µs (d, h) at 2.2 Å resolution. Maps are shown around the fatty acid (FA) and Cys432 of monomer A (a, b, c, d) and monomer B (e, f, g, h) and were calculated with refined models containing a C17 hydrocarbon molecule. The respective refined models are represented as sticks, with the C atoms of the protein in cyan and the hydrocarbon in dark green. Note that Wat1 has been excluded from all models.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 78| Part 9| September 2022| Pages 1131-1142

https://doi.org/10.1107/S2059798322007525

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