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 6
Hydrocarbon product in the extrapolated structure at 300 ns. (a, b, e, f) q-weighted extrapolated electron-density maps, $[2mF_{\rm ext}^{\Delta t\_300\,{\rm ns}}]$ − DF_calc (1 r.m.s.d., blue mesh) and $[mF_{\rm ext}^{\Delta t\_300\,{\rm ns}}]$ − DF_calc (+3 r.m.s.d., green), calculated with models of monomers A (a, b) and B (e, f) from which the substrate was omitted. (c, d, g, h) Extrapolated $[2mF_{\rm ext}^{\Delta t\_300\,{\rm ns}}]$ − DF_calc electron-density maps (1 r.m.s.d., blue mesh) calculated with models of monomers A (c, d) and B (g, h) without substrate but including a hydrocarbon product (HC; dark green). Dark-state and 300 ns intermediate-state models of monomer A (a, b, c, d) and monomer B (e, f, g, h) are overlaid in gray and cyan, respectively. The fatty-acid substrate (FA1) in the dark model is shown in lime green in (a)–(h)

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

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

https://doi.org/10.1107/S2059798322007525

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