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X-ray diffraction

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The X-ray Diffraction facility provides the screening, testing, and complete data collection from X-ray diffraction of single crystals, either from protein or small molecule compounds. Data is obtained in the in-house X-ray diffractometer or through access to synchrotron macromolecular crystallography beamlines (ESRF, DIAMOND, SLS, SOLEIL, DESY, ALBA). Diffraction is performed using an X-ray diffractometer, and complete data are collected according to experimental requirements. A microspectrophotometer is available and can be coupled to the goniometer. Dedicated software permits indexing, integration, scaling of data, and 3D structure solution. Small-Angle X-ray Scattering (SAXS) experiments can be performed through access to synchrotron facilities. A service for Single Crystal X-ray Structure Determination of small molecules is available.

Equipment

U.Aveiro

Single-Crystal X-Ray Diffractometers

  • D8 Quest, Single-crystal X-ray Diffractometer with Mo radiation, TRIUMPH Monochromator, 4-circle Bruker Kappa Goniometer, PHOTON II CMOS detector, Oxford Cryostream 700 series for low temperature data collections (up to 100 K)
  • RIGAKU XtaLAB Synergy-I, Single-crystal X-ray Diffractometer equipped with a Mo Kα (λ = 0.71073 Å) PhotonJet-i microsource, a HyPix3000 detector controlled by the CrysAlisPro software and equipped with an Oxford Cryosystems Series 800 cryostream (up to 100 K).

Powder X-Ray Diffractometers

  • PANalytical Empyrean powder X-ray Diffractometer with Cu radiation, Highperformance PIXcel-1D detector, reflection/transmission geometry with rotating sample and “beam knife”, K1 monochromator - Johansson Monochromator, spinning capillary, Bragg– Brentano optics and focusing geometry, parallel beam geometry with Göbel mirror
  • X’Pert Powder X-ray Diffractometer with Cu radiation, High-performance PIXcel1D detector, Reflection/transmission geometry with rotating sample and “beam knife”, multi-purpose support for large samples, Bragg–Brentano optics and focusing geometry, 15-Slot automatic sample changer, Anton Paar HTK16 High temperature furnace, high vacuum system with a turbomolecular pump
  • X’Pert Pro MRD, High-resolution X-ray Diffractometer with Cu radiation a 4-circle goniometer, Göbel mirror for parallel incident beam, 4-Crystal asymmetrical (2 2 0) Ge monochromator for the incident radiation, Open 1/2 circle Eulerian cradle with motorized XYZ sample stage