Faster 3D Structure Determination of Organics with SC-XRD

Perform faster 3D structure analysis with SC-XRD chaperone compounds, and crystallise previously intractable organic molecules. This technique is already established in protein crystallisation, and can now also be used in small molecule crystallography with new Chaperone Crystallisation Kits from Bruker.

Blue Scientific is the official Nordic distributor for Bruker X-Ray Analysis instruments in Norway, Sweden, Denmark, Finland and Iceland. For more information or quotes, please get in touch.

Bruker SC-XRD

 Contact us on +44 (0)1223 422 269 or info@blue-scientific.com

Structure Determination with SC-XRD

Reliable determination of absolute configuration is one of the key capabilities of SC-XRD, making it an extremely useful technique in pharmaceutical research. A significant anomalous signal can be obtained from non-racemic samples to determine the absolute structure. However, its success relies on generating crystals of the correct size, diffraction power and thermal / mechanical properties. Results can be compromised by major disorders, pseudo-symmetry, twinning and modulation.

Co-crystallization is a proven method for growing crystals of sufficient quality. However, finding a chaperoning partner molecule can be challenging. The number of analytes that can be crystallised with each particular partner molecule is often very limited.

Chaperone Assisted Crystallisation

Chaperone assisted crystallisation is an established method in protein crystallisation, for accelerating 3D structure determination. Chaperone proteins are used to stabilise other macromolecular structures via covalent or non-covalent chemical bonds.

Prof. C. Richert’s group at the Institute of Organic Chemistry in Stuttgart recently transferred the concept to small molecule crystallography. A series of molecules was developed, that form co-crystals with many organic molecules and chaperone high-quality crystal formation.

Crystallisation with Chaperones
Faster crystallisation with chaperones

Analyse Molecules not Previously Possible

This enables complete 3D structure analysis in a very short time, using single crystal diffractometers like the Bruker D8 QUEST and D8 VENTURE. It’s possible to analyse small and highly flexible organic molecules that were previously intractable.

The new approach could also lead to unambiguously determination of absolute structures from liquid samples – not previously possible with even the most sophisticated crystallisation methods.

Chaperone Crystallisation Kits

Chaperone Crystallisation Kits are now available from Bruker for X-ray crystallography. They increase the chances of successful crystallisation and enable faster 3D structural analysis of organics. Contact us for details and quotes.

  • Fast and easy to use.
  • Structures in hours rather than weeks.
  • Only small quantities of analyte required.
  • High crystal quality.
  • Sample screen of 52 organic compounds.
    • Diffraction-quality crystals in 88% of cases.
    • High resolution X-ray structures in 77% of cases.
  • Highly stable.

The new kits are designed for use with the Bruker D8 QUEST and D8 VENTURE SC-XRD systems.

Bruker D8 QUEST - 2nd Generation
Bruker D8 VENTURE 2nd Generation

Workflow

The chaperone kits are easy to use, for fast time-to-results:

  1. Add a few mg of chaperone to the analyte.
  2. Warm gently on a heating plate to form a clear solution.
  3. Let the mixture cool down while crystallisation occurs.

Further information is available in a pdf application note from Bruker.

More Information

Blue Scientific is the official distributor of Bruker X-Ray Analysis systems in the Nordic region. We’re available to provide quotes, arrange demonstrations and answer all your questions – just get in touch:

 Contact us on +44 (0)1223 422 269 or info@blue-scientific.com

 Bruker SC-XRD range