Synchrotron SAXS data from solutions of Gramicidin Synthetase 1 (GrsA) W239S mutant in the holo form in the presence of L-Tyrosine in 20 mM Tris pH 7.5, 100 mM NaCl, 10 mM MgCl2, 2% glycerol, were collected on the 12.3.1 (SIBYLS) beam line at the Advanced Light Source (ALS; Berkeley, CA, USA) using a Pilatus3 X 2M detector at a sample-detector distance of 2.1 m and at a wavelength of λ = 0.1127 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 5.00 mg/ml was measured at 7.9°C. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.
The holo form of GrsA-W239S exists in an ensemble of 2 states as determined by bilboMD in presence of L-Tyrosine. Individually, the compact form is present as 66% of the representative species with Dmax of 15.2 nm and Rg of 3.88 nm, while the elongated form was present as 34% of the ensemble with Dmax of 15.4 nm and Rg of 4.69 nm.
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