(a) Electron density maps for TM1 after MR (left) showing unbiased indications for Leu25 relocation (final model and maps, right). 2Fo-Fc maps are shown at 1 r.m.s.d. (grey mesh) and unbiased Fo-Fc maps at 3.5 r.m.s.d. (green mesh positive, red mesh negative). (b) The outward-oriented, Na+-free state (pink, this study) superimposed on the Na+- and L-leucine-bound, occluded outward-oriented state (grey, PDB entry code 2A65). Leu25 overlaps with the substrate-binding site. (c,d) Outward-oriented Na+-free state (pink, this study) superimposed with Na+-bound outward-open (c, grey, PDB entry code 3TT1) and Na+-free inward-open (d, sky blue, PDB entry code 3TT3) states. (e) Molecule A cartoon putty thickness illustrating flexibility and colour gradient for atomic displacement B-factor from blue (thin, low disorder) to red (thick, high disorder) with an average value of 93.4 Å2. (f) Alignment of the TM1 region of NSS. The conserved Leu25LeuT is marked with a red box. MR, molecular replacement.