Table 2. Structure refinement statistics.
| Free form | Gln-bound form | |
|---|---|---|
| Refinement | ||
| Resolution (Å) | 50–1.95 (1.98–1.95) | 50–2.0 (2.02–2.0) |
| No. of reflections | 74 447 | 68 955 |
| Rwork/Rfree | 0.1881/0.2218 | 0.1890/0.2192 |
| (0.2715/0.2860) | (0.2735/0.3030) | |
| No. of atoms | ||
| Protein | 6597 | 6596 |
| Ions/Ligand | 4 | 13 |
| Water | 274 | 327 |
| Average B-factors (Å2) | ||
| Protein | 40.1 | 51.4 |
| Ions/Ligand | 45.5 | 41.1 |
| Water | 36.9 | 41.8 |
| Coordinates error (Å) | 0.52 | 0.50 |
| r.m.s. deviations | ||
| Bond lengths (Å) | 0.004 | 0.006 |
| Bond angles (º) | 0.892 | 1.060 |
*Highest resolution shell is shown in parentheses.