Our collaboration recently demonstrated proof-of-principle success for small unit cell serial femtosecond X-ray crystallography (SC-SFX) using an X-ray free electron laser (XFEL) as a strategy for producing datasets that can be used for <i>de novo</i> structure solutions. This achievement marks a significant advancement beyond the conventional SFX capabilities used for protein structure determination. We were able to the solve a partial structure for the metal organic coordination polymer, silver benzeneselenolate (6 x 7 x 29 Å unit cell dimensions) by direct methods at a resolution of 1.5 Å from datasets collected at LCLS and 1.2 Å from datasets collected at SACLA. SC-SFX in combination with the femtosecond time resolution of the XFEL will allow us to study structural dynamics in materials through pump-probe experiments. We present our initial results using SC-SFX and future goals towards high-throughput structure solutions and structural dynamics investigations of novel materials.

Small-cell serial femtosecond crystallography as a method for high-throughput materials discovery

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.