Table 1.
Data collection and refinement statistics
| Crystal parameters | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c, Å | 38.340, 97.628, 64.109 |
| α, β, γ, ° | 90, 95.766, 90 |
| Matthews coefficient, Å3/Da | 2.2 |
| Data quality | |
| Wavelength, Å | 0.97937 |
| Resolution, Å | 48.8–2.4 (2.49–2.4) |
| Rmerge, %* | 8.9 (51.4) |
| No. of unique reflections | 35,868 |
| No. of reflections in Rfree set† | 3,587 |
| Mean redundancy | 3.6 (3.7) |
| Completeness, overall, % | 99.8 (100) |
| Mean I/σI | 15.8 (2.5) |
| Refinement statistics | |
| Rfree, % | 17.9 |
| Rwork, % | 24.6 |
| Completeness, % | 99.38 (87.7) |
| Model quality | |
| Rmsd bond lengths, Å | 0.008 |
| Rmsd bond angles, ° | 1.1 |
| Ramachandran plot, % | |
| Most favored | 96.1 |
| Additional allowed | 3.9 |
| B factor, Å2 | 41.7 |
| Model contents | |
| Protomers in ASU | 2 |
| Protein residues | A: 95–283 |
| B: 93–233, 237–284, 293–311 | |
| Ligand | 1 PEF |
| No. atoms | 3,263 |
| Protein | 3,168 |
| Ligand | 34 |
| Water molecules | 61 |
*
Values in parentheses are for the highest resolution shell.
†
10% of the reflections were selected for free R calculation.