Figure 3: Identification of ssNMR contacts leading to high-resolution structural features.

(a) PDSD spectra recorded using [1-13C]-glucose-labelled (green) and [2-13C]-glucose-labelled (magenta) MxiH needle samples. Strips are extracted for three indicated resonance positions, corresponding to the assignments of 13C nuclei T23Cγ2, Q27Cβ and W10Cδ1. Assigned cross-peak labels are coloured black for intra-residue, dark red for medium-range and light red for long-range atom pair contacts. Ambiguous cross-peaks are marked with a yellow rhombus. (b,c) Converged structural features of the T3SS needle highlighting the quality of ssNMR constraints used, for atoms in b: Q27Cβ from subunit i (blue), T23Cγ2 from subunit i (pink) and Y60Cα from subunit i (green), and in c: P44Cδ from subunit i–11 (blue), W10Cδ1 from subunit i (green) and P6Cδ from subunit i (pink).