Table 1.
Data collection and refinement statisticsa
| Parameter | Value determined from: |
|
|---|---|---|
| Home source data | Synchrotron data | |
| Data collection | ||
| Space group | P42 | P42 |
| Cell dimensions (Å) | ||
| a | 64.17 | 63.46 |
| c | 123.02 | 123.21 |
| Resolution (Å) | 64.12–3.2 (3.37–3.2) | 50–2.5 (2.59–2.5) |
| Rmerge (%) | 9.9 (48.7) | 5.5 (18.7) |
| I/σI | 13.7 (4.1) | 22.2 (2.2) |
| Completeness (%) | 99.7 (99.3) | 95.1 (74.6) |
| Redundancy | 6.3 (6.3) | 6.6 (4.7) |
| Refinement | ||
| Resolution (Å) | 28-2.5 | |
| No. of reflections | 16,272 | |
| Rwork/Rfree | 0.27/0.31 | |
| No. of atoms | ||
| Protein | 3,328 | |
| Ligand/ion | 108 | |
| Water | 162 | |
| B factors (Å2) | ||
| Protein | 72.8 | |
| Ligand | 72.7 | |
| Water | 65.0 | |
| RMS deviations | ||
| Bond lengths (Å) | 0.01 | |
| Bond angles (°) | 1.53 | |
a
Values in parentheses are for the highest-resolution shell. RMS, root mean square.