Figure 1: Design for 19F and Ni2+ labeling of GltPh for R1 PRE.
a, Cartoon representations of the structures of L-asp bound GltPh in the OFS (PDB accession code 2NWX) and IFS (accession code 3KBC). The structurally rigid scaffold domain is colored wheat and the dynamic transport domain is colored blue and red in the OFS and IFS, respectively. The substrate L-asp is shown as spheres. Pink and cyan circles represent the expected locations of the 19F label and bound Ni2+ ion, respectively. Only one of the three protomers was shown. b, Dependence of the longitudinal R1 PRE on the distance between 19F and paramagnetic centers based on Equation 1, assuming τc is 213 ns, S2 is 0.1 and τi is 20 ps. Other parameters are given in Supplementary Note. MTSL, (1-Oxyl-2,2,5,5-tetramethylpyrroline-3- methyl)methanethiosulfonate. Lines are colored red (Ni2+), blue (Cu2+), magenta (MTSL), black (Co2+).