Table 1.
Data Collection and Refinement Statistics for the Pepper Aptamer in Complex with HBC530 (7SZU) and HBC599 (7U0Y).
| HBC530 | HBC599 | |
|---|---|---|
| data collection | ||
| space group | P212121 | P212121 |
| resolution | (2.32–2.24) | (2.76–2.66) |
| cell dimensions | ||
| a, b, c, (Å) | 61.61, 96.99, 148.26 | 61.25, 96.07, 148.17 |
| α, β, γ (deg) | 90, 90, 90 | 90, 90, 90 |
| Rmerge (%) | 0.06286 (1.283) | 0.04627 (0.5635) |
| I/σ | 18.17 (1.22) | 15.61 (1.27) |
| completeness (%) | 99.9 (99.6) | 96.8 (83.0) |
| redundancy | 6.8 (7.0) | 3.3 (2.5) |
| CC(1/2) | 0.998 (0.56) | 0.997 (0.723) |
| refinement | ||
| no. reflections | 43498 (4281) | 24995 (2083) |
| R work /R free | 0.2198/0.2634 | 0.2182/0.2548 |
| R.M.S. deviations | ||
| bond angles (deg) | 0.58 | 0.83 |
| bond length (Å) | 0.002 | 0.005 |
| Ramachandran plot of protein residues | ||
| preferred regions (%) | 96.77 | 93.5 |
| allowed regions (%) | 2.77 | 5.34 |
| disallowed regions (%) | 0.46 | 1.16 |
| B-factors | 74.8 | 89.5 |
| RNA | 78.5 | 84.4 |
| protein | 73.8 | 91.5 |
| ligand | 72.8 | 90.5 |
| MA, MB, (MC) | 74.0, 48.7, (61.3) | 90.1, 86.8, (n/a) |