Table S2.
Data collection and refinement statistics for the designed antibodies
| 5ins16_ev | 5ins14 | |
| Data collection | ||
| PDB ID code | 5NB5 | 5NBI |
| Space group | P212121 | P3121 |
| Cell dimensions | ||
| a, b, c; Å | 63.33, 109.39, 158.90 | 67.91, 67.91, 182.18 |
| α, β, γ; ° | 90, 90, 90 | 90, 90, 120 |
| No. of copies, a.u. | 2 | 1 |
| Resolution, Å | 90.00–3.00 | 60.7–2.10 |
| Upper resolution shell, Å | 3.16–3.00 | 2.21–2.10 |
| Unique reflections | 21,280 (738) | 28,196 (4,043) |
| Completeness, % | 93.0 (85.9) | 98.2 (98.2) |
| Multiplicity | 4.2 (3.8) | 10.9 (10.7) |
| Average I/σ(I) | 3.8 (1.1) | 6.5 (1.3) |
| Rsym (I), % | 19.5 (69.4) | 7.4 (59.0) |
| Refinement | ||
| Resolution range, Å | 90.00–3.00 | 60.73–2.10 |
| No. of reflections [I/σ(I) > 0] | 20,906 | 27,280 |
| No. of reflections in test set | 1,105 | 1,405 |
| R-working, %/R-free, % | 22.3/25.7 | 21.2/25.7 |
| No. of protein atoms | 6,558 | 3,303 |
| No. of water molecules | 0 | 8 |
| Overall average B factor, Å2 | 43.2 | 45.4 |
| Rmsd | ||
| Bond length, Å | 0.008 | 0.01 |
| Bond angle, ° | 1.376 | 1.45 |
| Ramachandran plot | ||
| Most favored, % | 88.6 | 90.2 |
| Additionally allowed, % | 9.8 | 9.0 |
| Disallowed, % | 0.3 | 0.0 |
Values in parentheses refer to the data of the corresponding upper resolution shell.