Bruker AXS Shows SMART X2S, the World’s First Benchtop, Walk-Up X-Ray System for Automated Small Molecule 3D Structure Determination by Chemists

At Pittcon 2008, Bruker AXS exhibits its new compact and affordable SMART X2S™ (Crystal-to-Structure), the first benchtop X-ray crystallography system for fully automated three-dimensional (3D) chemical structure determination. It is designed for use by chemists who have no special training in crystallography and it is expected to appeal to many inorganic and organic chemists at colleges and universities, as well as in bio-pharma and chemical companies.

Traditional X-ray systems for 3D structure determination are floor-standing, require significant infrastructure and typically are installed in specialist X-ray crystallography centers. While molecular structure information is of tremendous benefit for chemists, the traditional need for trained crystallographers has made access to structural information inconvenient or expensive for many working chemists. Often they need to send samples away to an off-site crystallography service laboratory and wait days for the results, or they simply forego structural confirmation at certain stages of their research.

The SMART X2S for the first time allows inorganic and organic chemists to produce atomic resolution, 3D structures of routine samples in their own laboratories quickly and easily at the touch of a button. The SMART X2S takes small molecule structure determination to the next level of convenience by automating the previously difficult aspects of X-ray structure determination, from sample loading and alignment through data collection all the way to the mathematical structure solution.

Weighing less than 70 kg and requiring only 0.5 kW of standard single-phase AC power, the benchtop SMART X2S can be installed easily in any academic or industrial chemistry laboratory. It is also the most affordable crystallographic system available. It is intended to be operated by chemists without the requirement for expert crystallographic training, and is suitable for a wide range of inorganic, organic and organometallic crystals.

Dr. Charles Campana, Senior Scientist for Structural Chemistry at Bruker AXS, stated: “It has long been a dream to automate the process of X-ray small molecule structure determination, so that it can become a powerful, yet routine analytical tool in the hands of most chemists. Now, advances in technology, automation and algorithms have finally made this possible. The SMART X2S system allows chemists to do routine, publication-quality crystal structures in only a few hours without specialized crystallography expertise.”

Dr. Roger Durst. Chief Technology Officer for Bruker AXS noted: “The SMART X2S incorporates a great deal of sophisticated, expert knowledge of both crystallography and chemistry in order to allow an unprecedented level of automation. We have already seen a remarkable level of customer interest in this new capability and we have now collected many really outstanding structures on real-world compounds during live customer demonstrations. The interest in fully automated small molecule structure determination among chemists in academia and in the pharmaceutical industry is very high, and we believe that we truly have a breakthrough solution for them.”