Figure 2
(a) The SAXS-based experimental radial density distribution shows that GPx4 adopts a compact conformation in solution. The following SAXS-based parameters have been derived: an apparent molecular mass of 20 kDa (calculated, 20 kDa), an Rg of 16.8 Å (16.5 Å calculated from the X-ray structure), Dmax of 50 Å (50 Å in the crystal structure model), agreement of experimental scattering data with scattering data back-calculated from the crystal structure χ2 = 1.1. (b) Overlay of the SAXS ab initio model with the GPx4 crystal structure determined here. The model was calculated by DAMMIF using an average of 50 structures (Rf = 0.0032). The figure was prepared using PyMOL. (c) Two-dimensional 1H,15N HSQC NMR spectrum of 13C,15N-labelled GPx4. The excellent dispersion and quality of the NMR resonances are as expected for a well folded 20 kDa protein and indicate that GPx4 is monomeric in solution. The spectrum was recorded with 16 scans, an inter-scan delay of 1 s and 256 complex points in the indirect dimension. |