High-pressure single-crystal diffraction at the Australian Synchrotron

Abstract

A new high-pressure single-crystal diffraction setup has been designed and implemented at the Australian Synchrotron for collecting molecular and protein crystal structures. The setup incorporates a modified micro-Merrill–Bassett cell and holder designed specifically to fit onto the horizontal air-bearing goniometer, allowing high-pressure diffraction measurements to be collected with little to no modification of the beamline setup compared with ambient data collections. Compression data for the amino acid, L-threonine, and the protein, hen egg-white lysozyme, were collected, showcasing the capabilities of the setup.

High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67

“…A second crystal (crystal 2) was later collected at ambient temperature and pressure ( λ = 0.7107 Å) for comparison. A third crystal (crystal 3) was collected at the ANSTO (Australian Synchrotron) MX1 beamline 27 in a modified micro-Merrill Basset DAC, following the method of Boer et al 28 using a 4 : 1 methanol/ethanol mixture (MeOH : EtOH) as the PTM. The structures were solved and refined by SHELXT 29 and SHELXL 30 in Olex2 1.5.…”