A worldwide e-Infrastructure for NMR and structural biology

Structural Research Lab 700 MHz NMR Spectrometer

LocationUniversity of Warsaw, Warsaw, Poland
Spectrometer typeVarian NMR Systems
State/PhaseLiquid state

    - probes (all probes enable variable temperature operation):
    - liquid samples:
        5 mm 1H/13C/15N/2H, xyz-PFG (3x60G/cm), 1H detection- biological samples
        5 mm 1H/13C/31P-15N/2H, z-PFG (60G/cm), 1H detection
        5 mm 1H/31P-15N/2H, z-PFG (60G/cm), BB or 1H detection
    - powder samples:
        1H/X/Y, MAS 25 kHz, rotor 3.2 mm,
    - heterogenic samples:
        4 mm 1H/31P-15N/2H, z-PFG (100 G/cm), 1H detection, MAS

Fields of expertise

    Methodology of NMR:
        - experiments of high dimensionality for demanding cases of crowded spectra (e.g. for disordered proteins)
        - experiments based on non-uniform sampling
        - new experimental techniques for small organic molecules and macromolecules of biological interest,
        measurements of earlier inaccessible parameters, improvement of precision and accuracy,
        new methods for acquisition multidimensional spectra, with better resolution in shorter time .
    - Structural studies of biomolecules
    - Application of modern NMR techniques for chiral recognition.
    - Studies of host-guest complexes, for example with cyclodextrines.
    - Application of residual dipolar couplings and quadrupolar interactions in weakly oriented media in structural studies of organic molecules.
    - Investigations of origin of natural compounds using 2H NMR.
    - Studies of powder samples in the high magnetic field:
        identification of polymorphs,
        determination of chemical shift tensor,
        structural studies.

    - 16.4 T magnetOxford
    - "Direct Drive" console
    - four independent RF channels (1H 100 W, BB 400 W, 2 x BB 1000 W), all channels enable for shaped pulses
    - 40 shim coils
    - 2H lock
    - "high band" lock 2H - 1H
    - variable temperature unit
    - XYZ PFG amplifier
    - air termostat FTS (-40 - + 150 ºC)



Cite WeNMR/WestLife

Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"The FP7 WeNMR (project# 261572) and H2020 West-Life (project# 675858) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure and DIRAC4EGI service with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, RAL-LCG2, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, South Africa, Malaysia, Taiwan and the US Open Science Grid."
And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.


The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572

WestLife, the follow up project of WeNMR is a Virtual Research Environment e-Infrastructure project funded under Horizon 2020. Contract no. 675858