Extended Data Table 1 ∣.
SSNMR structure calculation statistics
| AmB-Erg lattice | |
|---|---|
| NMR distance and dihedral restraints per lattice | |
| Distance restraints | |
| Total | 512 |
| 13C-13C restraints | 501 |
| Up to 6 Å | 94 |
| Up to 7.5 Å | 407 |
| FS-REDOR 13C-19F | 11 |
| Total dihedral angle restraints | 81 |
| Structure statistics from 33 lowest energy structures | |
| Violations (mean and (s.d.)) | 19.5 (2.2) |
| Distance restraints ≥ 0.5 Å | 3.3 (2.2) |
| Dihedral angle restraints ≥ 5° | 0.0 (0.0) |
| Bond angle restraints | 16.2 (0.6) |
| Improper restraints | 0.0 (0.0) |
| Deviations from idealized geometry | |
| Max. bond angle violation (°) | 9.9 |
| Average r.m.s.d of 10 lowest energy lattices (Å) | 0.54a |
a
Overlaid over segid 222 resid 1 (the center AmB of the 5x5x5 lattice)
SSNMR restraints and refinement statistics for the structure calculation presented in Figs. 1a, 2a, and Extended Data Fig. 4a,b.