Table S1.
Data collection and refinement statistics for BEST1TripleA
| Data collection | |
| Space group | P21 |
| Wavelength, Å | 1.033 |
| Cell dimensions, Å | |
| a | 98.24 |
| b | 243.88 |
| c | 172.05 |
| α = ɣ = 90°, β =, o | 93.84 |
| Resolution, Å | 38–3.1 (3.15–3.10) |
| Rmerge | 0.25 (1.9) |
| Rpim | 0.086 (0.646) |
| CC1/2 in outer shell | 0.604 |
| I/σI | 9.7 (1.2) |
| Completeness, % | 99.9 (99.9) |
| Redundancy | 9.5 (9.7) |
| Refinement | |
| Resolution, Å | 38–3.1 |
| No. of reflections | 145,877 |
| No. atoms | 30,705 |
| Ions | 25 |
| Water | 10 |
| Rwork | 0.218 (0.334) |
| Rfree | 0.242 (0.358) |
| Average B factors, Å2 | 101.2 |
| Protein | 101.3 |
| Ions | 90.1 |
| Water | 72.82 |
| Ramachandran, % | |
| Favored | 95 |
| Outliers | 0.4 |
| Rms deviations | |
| Bond lengths, Å | 0.004 |
| Bond angles, Å | 0.95 |
| Rotamer outliers, % | 1.6 |
| Clash score | 7.6 |
Data collection statistics are taken from HKL3000 (39), refinement statistics are from PHENIX (43), and CC1/2 is defined in ref. 40. Numbers in parentheses indicate the highest resolution shells and their statistics. The 5% of reflections used for calculation of Rfree were derived from the search model PDB ID code 4RDQ.