TABLE 1.
Data collection and refinement statistics
| Parameter | Value for domaina |
|
|---|---|---|
| NTD (PDB code 5N4K) | CTD (PDB code 5EPW) | |
| Data collection | ||
| Space group | P32 | P61 |
| Cell dimensions | ||
| a, b, c (Å) | 48.09, 48.09, 101.22 | 68.29, 68.29, 92.49 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 1.49 | 1.50 |
| Rmerge | 0.034 (0.095) | 0.085 (0.841) |
| I/σI | 16.1 (7.4) | 15.3 (3.0) |
| Completeness (%) | 99.1 (99.5) | 100 (100) |
| Redundancy | 2.9 (2.9) | 10.2 (9.7) |
| Refinement | ||
| Resolution (Å) | 1.49 | 1.5 |
| No. of reflections | 42,693 | 39,119 |
| Rwork/Rfree | 0.151/0.197 | 0.169/0.198 |
| No. of atoms | 2,645 | 1,955 |
| Protein | 2,205 | 1,736 |
| Ligand/ion | 75 | 0 |
| Water | 365 | 219 |
| Average B-factors | ||
| Protein | 21.06 | 21.75 |
| Ligand/ion | 34.59 | 20.91 |
| Water | 30.65 | 28.46 |
| RMSD | ||
| Bond length (Å) | 0.024 | 0.027 |
| Bond angle (°) | 2.53 | 2.40 |
| Ramachandran favored (%) | 97.77 | 98 |
| Ramachandran allowed (%) | 1.79 | 2.3 |
a
Values in parentheses are for the highest-resolution shell.