Abstract
Since the inception of the use of synchrotron radiation in the structural characterisation of crystalline materials by single-crystal diffraction in the late 20th century, the field has undergone an explosion of technological developments. These cover all aspects of the experiments performed, from the construction of the storage rings and insertion devices, to the end user functionalities in the experimental hutches. Developments in automation have most frequently been driven by the macromolecular crystallography community. The drive towards greater access to ever-brighter X-ray sources has benefited the entire field. Herein, we detail the revolution that is now occurring within the chemical crystallography community, utilising many of the tools developed by their more biologically oriented colleagues, along with specialised functionalities that are tailored to the small-molecule world. We discuss the benefits of utilising the advanced features of Diamond Light Source beamline I19 in the newly developed remote access mode and the step-change in productivity that can be established as a result.
Highlights
Single-crystal X-ray diffraction remains the gold standard of analytical techniques, with an ever-expanding solid-state landscape being scrutinised via this method
The prerequisites for full remote access experimental control were not all present in the initial design, construction, and operational mode of Diamond Light Source (DLS) beamline I19; some have been introduced gradually since 2008, and others have been put in place through the 2016 major upgrade
The remote access protocols can essentially be broken down into three discrete consecutive operations, following an outline broadly similar to standard experiments completed in-house: sample loading and transportation; data collection; data processing and interpretation
Summary
Single-crystal X-ray diffraction remains the gold standard of analytical techniques, with an ever-expanding solid-state landscape being scrutinised via this method. SMX crystals are typically much more durable than the MMX equivalents (while at the same time being subject to a wider range of chemical and environmental sensitivities), in that the samples can usually withstand the far greater exposure to high flux densities provided by modern synchrotron beamlines This durability allows the samples to be irradiated for rather longer periods of time in a variety of angular positions, often enabling extended analysis of diffraction space and higher resolution data to be recorded from one crystal without major radiation damage. The new working protocols are discussed in detail from a user perspective, with additional commentary on variations of data processing approaches
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
