X-ray Diffraction Data Collection

Obtaining diffraction-quality crystals is a prerequisite for solving any macromolecular structure through X-ray diffraction approaches. Once the appropriate crystals are obtained, it is necessary to submit them to the process of X-ray diffraction data acquisition. Diffraction data collection is the final experimental stage of crystal structure analysis. Optimal measurements and accurate diffraction data make subsequent structural analysis steps easier and lead to the final reconstruction of the three-dimensional (3D) structure model more accurate and reliable.

Creative Biostructure exploits powerful Rigaku X-ray equipment (for testing and optimization) and synchrotron radiation (for formal X-ray diffraction data collection) to support X-ray diffraction data acquisition. Our crystallographers have a deep understanding of the important factors in X-ray data collection from macromolecular crystals and can propose strategies suitable for various applications.

X-ray Diffraction Data Collection

Different data collection approaches may affect data quality, which is closely related to the faithful interpretation of the final 3D structure model. Creative Biostructure can collect multiple datasets according to various phase determination methods, such as Molecular Replacement (MR), Multiple Isomorphous Replacement (MIR), Single-wavelength Anomalous Dispersion (SAD), and Multi-wavelength Anomalous Dispersion (MAD).

  • If the structure of a homologous protein is available in the RCSB Protein Data Bank (PDB), one set of diffraction data can be collected for structural determination by Molecular Replacement (MR).
  • If a homologous model is not available, the phase can be determined by either Multiple Isomorphous Replacement (MIR) using heavy atoms or Multiple Wavelength Anomalous Dispersion (MAD) using selenomethionine (SeMet) derivatives. More than one set of data can be collected according to the methods utilized.
  • For co-crystallization of a protein with a known structure, one data set can be collected for each ligand.

With a comprehensive X-ray crystallography platform, Creative Biostructure can offer integrated X-ray crystallography pipelines. Our mission is to provide state-of-the-art structural biology services to researchers in industry and academia. If you are interested in our X-ray diffraction data collection service, please feel free to contact us for more information or a detailed quote.


  1. Dauter Z. Collection of x-ray diffraction data from macromolecular crystals. Protein Crystallography. Humana Press. New York, NY, 2017: 165-184.
For research use only. Not intended for diagnostic, therapeutic or any clinical use.

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