Macromolecular crystallography

Boost lead identification and optimisation with 3D structural data

We help you accelerate your hit-to-lead and lead-optimisation campaigns by elucidating the 3D molecular binding modes of small-molecule modulators or therapeutic proteins bound to their target proteins. This 3D information provides an experimental understanding of ligand binding, enabling structure-based drug design. Our protein crystallography platform develops high-quality crystallisation systems, enabling timely structural information to support your optimisation programs.

Discussing new lead optimization strategies identified from a new target-compound structure.

Crystallisation screening

Our state-of-the-art crystallisation platform enables fast and efficient screening to identify and optimise crystallisation conditions. It includes:

  • Multiple liquid handling systems for preparing a wide range of proprietary and vendor crystallisation screens
  • Accurate crystallisation drop setting using nanolitre liquid-handling machines (including a humidity control box)
  • Specialised membrane protein liquid cubic phase (LCP) crystallisation platform, including an LCP mixing station and an LCP-enabled nano-dispensing robot
  • Specialised fragment-screening platform, including an echo-acoustic liquid handler for soaking experiments and a Crystal Shifter system for crystal freezing
  • Automated crystallisation imaging (visible and UV) at multiple temperatures.

Data collection, structure determination and analysis

Our bi-weekly access to third-generation high-brilliance synchrotron sources, complemented by an in-house X-ray source, enables fast and regular data collection. Our proprietary automated structure-solution pipeline evaluates datasets and fully refines structures. After a final internal quality-control check, we deliver a complete structural biology data package with all industry-standard files. Working with our digital team, we provide detailed binding mode analysis to support and accelerate structure-based compound optimisation, helping to integrate structural insights into your optimisation programs.

High-throughput crystallography (HTX)

HTX fragment screening is a powerful technique for detecting and elucidating the binding modes of very weak binders. By partnering with us, you gain access to our fully integrated HTX workflow within our advanced structural biology platform, allowing for fast and efficient screening of up to 1,000 fragments. Using a state-of-the-art Echo Acoustic Liquid Handler ensures efficient soaking of HTX fragments into crystals, which are then prepared for data collection using a Crystal Shifter system. Visual Basic scripts provide reliable data tracking throughout the process. With continuous access to high-brilliance synchrotron sources and both automated and manual data collection options, we are able to deliver fast and dependable crystallographic data. Our proprietary analysis pipeline, including PanDDA, swiftly identifies datasets with a high likelihood of fragment binding, helping ensure rapid refinement and analysis.

Related topics & resources

Scientists in the lab carry out protein analysis experiment

Protein sciences

Our protein scientists deliver high-quality soluble and membrane proteins for structural biology characterisation. 

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E3 Ligase and 4 examples of fragment hits

Fragment screening

We perform fragment screening via SPR, NMR, TSA, MS and HTX.

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protein-ligand binding site 

Molecular modelling platform

Leverage structural biology data through molecular modeling to accelerate access to improved chemical matter.

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