O'HARE GROUP

The Chemical Crystallography Service comprises four diffractometers:  two Nonius Kappa-CCD Diffractometers and two Oxford Diffraction/Agilent SuperNovae. A dual wavelength single crystal diffractometer for studying macromolecular structures, ideally suited for very small crystals under temperature control within the range of 80 – 500 K. A specialised software package CRYSALISpro allows automatic search of the diffraction peaks with the settings and automatically identify and refine the parameters of the unit cell, integrating an array of diffraction data, analysing and processing of the diffuse scattering, applying absorption correction taking into account real shape of the crystal, determine numerical absorption values, scaling and accounting absorption on the basis of the intensity of symmetry-related reflections measured at different orientations of the crystal, the calculation of geometric objects (area, perimeter, shape factor, orientation, length and width).