Table 1.
Summary of Data Collection, Structure Determination, and Refinement Statistics
| Ligands | 2-5A + AMP-PNP | 2-5A |
|---|---|---|
| Space group | P21 | P21 |
| Unit cell parameters (Å; °) | ||
| a | 59.20 | 59.78 |
| b | 267.4 | 268.48 |
| c | 110.21 | 111.89 |
| β | 90.04 | 90.04 |
| Molecules/asu | 4 | 4 |
| Resolution | 59.2–2.50 (2.66–2.5) | 49.7–3.25 (3.37–3.25) |
| Unique reflections | 106,347 (15,940) | 51,209 (5,016) |
| Redundancy | 3.0 (3.2) | 2.4 (2.3) |
| Completeness (%) | 95.7 (88.4) | 94.1 (92.9) |
| Wilson B (Å2) | 52.7 | 88.3 |
| I/σI | 6.8 (1.6) | 8.2 (1.2) |
| CC1/2 (%) | 69.1 | 43.9 |
| Rmeas | 0.104 (0.526) | 0.131 (0.980) |
| Rwork/Rfree | 0.196/0.231 | 0.230/0.289 |
| Rmsd from ideal geometry | ||
| Bonds (Å) | 0.007 | 0.010 |
| Angles (°) | 1.231 | 1.394 |
| Average B factors (Å2) | ||
| Protein | 52.9 | 129.5 |
| 2-5A | 41.1 | 115.0 |
| AMP-PNP:Mg2+ | 37.7 | - |
| Ramachandran plot | ||
| Favored regions (%) | 97.54 | 96.26 |
| Disallowed regions (%) | 0 | 0 |