Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography

Pandey, S.; Calvey, G.; Katz, A.M.; Malla, T.N.; Koua, F.H.M.; Martin-Garcia, J.M.; Poudyal, I.; Yang, J.-H.; Vakili, M.; Yefanov, O.; Zielinski, K.A.; Bajt, S.; Awel, S.; Doerner, K.; Frank, M.; Gelisio, L.; Jernigan, R.; Kirkwood, H.; Kloos, M.; Koliyadu, J.; Mariani, V.; Miller, M.D.; Mills, G.; Nelson, G.; Olmos Jr., J.L.; Sadri, A.; Sato, T.; Tolstikova, A.; Xu, W.; Ourmazd, A.; Spence, J.H.C.; Schwander, P.; Barty, A.; Chapman, H.N.; Fromme, P.; Mancuso, A.P.; Phillips Jr, G.N.; Bean, R.; Pollack, L.; Schmidt, M.

doi:10.1107/S2052252521008125

Figure 4
Polder difference electron density, contour level 3σ, in the active center of BlaC subunit B. (a) The CEF ligand has not yet diffused in; the phosphate (P_i) from the crystallization buffer is dominant in the active site. (b) 5 ms after mixing: the phosphate is beginning to be displaced by CEF. (c) 10 ms after mixing: the phosphate is no longer dominant. (d) 50 ms after mixing: little evidence of the phosphate remains and the density only has features of the antibiotic compound. Nearby amino acids are marked in (a).

IUCrJ

Volume 8| Part 6| November 2021| Pages 878-895

ISSN: 2052-2525

https://doi.org/10.1107/S2052252521008125

BIOLOGY | MEDICINE

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