Table 1. Data collection and refinement.
| bcPadR1 | bcPadR2 | |
| Data collection | ||
| Wavelength (Å) | 0.9330 | 0.9330 |
| Space group | P41212 | P43212 |
| Unit cell dimensions (Å) | a = b = 73.5, c = 84.1 | a = b = 43.9, c = 120.1 |
| Resolution (Å)* | 44–2.5 (2.64–2.5) | 44–2.2 (2.32–2.2) |
| Total observations | 65429 | 49981 |
| Unique reflections | 8474 | 6500 |
| <I/σ>* | 20.6 (2.9) | 27.9 (3.3) |
| Completeness (%)* | 100 (100) | 99.7 (98.1) |
| Rmerge * | 0.074 (0.611) | 0.042 (0.511) |
| Refinement | ||
| Resolution (Å) | 37–2.5 | 41–2.2 |
| R-factor/Rfree (%)§ | 20.2/22.6 | 22.3/27.7 |
| Number of atoms | ||
| Non-H protein | 826 | 825 |
| Water | 17 | 17 |
| Ligand | 28 (glycerol, sulfate) | 0 |
| Average B (Å2) | 58.3 | 67.8 |
| RMSD | ||
| Bond lengths (Å) | 0.003 | 0.010 |
| Bond angles (°) | 0.702 | 1.010 |
| Ramachandran plot | ||
| % most favoured | 98.0 | 97.9 |
| % disallowed | 0.0 | 0.0 |
*
Values in parentheses refer to the highest resolution shell.
§
The R-factor is calculated for all measured reflections in the specified resolution range, while the Rfree is calculated for reflections belonging to a random test set not used in refinement (10% of the data).