Resource center “X-ray diffraction research methods”

About the project

Equipping the X-ray diffraction research methods resource center of St. Petersburg State University.

An upgrade of the Supernova single-crystal diffractometer (Oxford Diffraction) with the Oxford Cryosystems Cryostream low-temperature system for continuous cooling under 24/7 operating conditions. The rapid liquid nitrogen cooling system maintains a temperature in the range of 80 – 500 K with an accuracy of ± 0.1 C.

Project Deatils

The SuperNova system represents the latest generation of systems with two fixed wavelengths, using all the achievements of the Agilent Technologies Gemini system with two different X-ray sources. The system is designed for precision research of single crystals with large cells, including biological macromolecular structures.


Technical specifications:

Anode materials: microfocus radiation sources – MoKα, CuKα;
Nominal operating mode of X-ray sources: 40 kV / 1.5 mA;
X-ray reflected detector: two-dimensional high-speed CCD;
Multilayer x-ray optics to increase the intensity and perform the functions of a monochromator (extracts from the general spectrum of the source the duplet of the K (alpha1) / K (alpha2) lines); Geometry: 4-circle KAPPA goniometer with a variable angle of rotation of the crystal around the axis of the goniometric head (CHI):
range of change of angle 2ϴ from -180 to + 215 °;
free rotation of the omega angle;
the measurement step along the axes of two theta 2ϴ and omega is not more than 0.00125 degrees;
resolution on molybdenum radiation is not more than 0.40 Å in the range from 130 to 135 ° in 2θ.
Oxford Cryosystems Cryostream low temperature system with a temperature range of 80 – 500 K.
A video microscope mounted directly on the goniometer and equipped with means for measuring the geometric dimensions of the analyzed samples with an accuracy of 10 microns.


The specialized CRYSALISpro software package allows you to automatically search for diffraction peaks with specified parameters, automatically determine and refine unit cell parameters, integrate an array of diffraction data, analyze and process diffuse scattering data, take into account absorption by the real crystal shape, numerically take absorption, scale and take into account absorption based on data on the intensity of symmetrically coupled reflections measured at different orientations of the crystal; calculation of the geometric characteristics of objects (area, perimeter, form factor, orientation, length, width).

Project photo

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