X-ray Crystallography Service
Accurate information of molecular structure is a prerequisite for rational drug design and structure-based function research. X-ray crystallography uses the scattering effect of electrons on X-rays to link X-rays with crystallography, providing reliable answers to many redundant structure-related questions such as overall folding, ligand or substrate binding and other specific information. X-ray crystallographic diffraction analysis is the most important method for determining the three-dimensional structure and function of macromolecular proteins and nucleic acids.
Creative Biolabs is a professional biotechnology services platform, providing pre-clinical evaluation technology. Operating in conformity with global regulations and fully accredited by AAALAC, Creative Biolabs ensure the overall health and safety of our laboratories and reduce risks to our customers. Our researchers are all from accredited organizations and institutions and are rigorously steeped to ensure that the quality of X-ray crystallographic structure testing services meets experimental standards.
Protein crystals
The principle of X-ray diffraction structure analysis
- The direction of the diffraction line, that is, the location of the spots on the diffraction pattern, is used to determine the size and shape of the cell. The relation between the direction of the diffracted line and the size of the cell is described by Laue equation and Bragg equation.
- The intensity of a diffraction line, that is, the brightness or blackness of a dot on a diffraction pattern, is used to determine the spatial arrangement of atoms in a cell. The relationship between the intensity of the diffraction line and the atomic arrangement in the cell is determined by the Bragg equation.
We provide but are not limited to:
- Determination of the molecular structure of trace or unknown compounds
- Determination of the molecular structure of the mixture in eutectic form
- Determination of absolute configuration
- Conformational analysis
- Calculation of hydrogen bond, salt bond and coordination bond and analysis of molecular arrangement
- Determination of solvent molecules in raw materials
- Biomacromolecule structure analysis
- Provide initial 3D structure data for computer-aided drug molecular design
The process of X-ray crystallography to determine the structure:
Advantages of X-ray macromolecular crystallography:
- High-resolution
- Nondestructive sample
- Non-pollution
- Relatively fast
- A great deal of information about crystal integrity can be obtained
Case analysis of X-ray macromolecular crystallography:
X-ray crystallography determination is applied to any macromolecular targets with enough molecular mass, regardless of their size and complexity, unfortunately, many inner membrane proteins and receptors as the G protein coupled receptor (GPCR) and ion channel can't meet these prerequisites, the protein constitutes a very important class of drug targets.
X-ray crystallography is widely used for fragmentary compound screening:
References
- Chapter 30 Protein Crystallography and Drug Discovery. In The Practice of Medicinal Chemistry, 3rd Ed, 2008.
- Wan M. Khairul, Adibah Izzati Daud et al. FT-IR, NMR and X-ray crystallography dataset for newly synthesized allcoxy-chalcone featuring (E) -1- (4-ethylphenyl) -3- (4-(heptyloxy) phenyl) prop -2- en -1- one. Chemical Data Collections 2020, 28, 100473.
*For Research Use Only. Not for use in diagnostic procedures.