Table 1. Summary of crystal data and data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Crystal data | |
| Space group | R3 |
| Unit-cell parameters (Å) | a = 102.43, c = 278.84 |
| No. of molecules in unit cell (Z) | 18 |
| Solvent content (%) | 50.2 |
| Data collection | |
| Source | BL44B2 |
| Detector type | ADSC Q210 |
| Wavelength (Å) | 1.0 |
| Temperature (K) | 100 |
| Resolution range (Å) | 25–1.55 (1.59–1.55) |
| No. of unique reflections | 158273 (10482) |
| Redundancy | 5.7 (5.6) |
| Completeness (%) | 100.0 (100.0) |
| Rmerge | 0.060 (0.435) |
| 〈I/σ(I)〉 | 30.9 (4.2) |
| Refinement statistics | |
| Resolution range (Å) | 25–1.55 |
| Rwork | 0.158 |
| Rfree (5% of reflections) | 0.180 |
| Overall average B factor excluding solvent (Å2) | 12.4 |
| No. of atoms refined | |
| Protein atoms | 8204 |
| Ligand atoms | 170 |
| Solvent atoms | 1060 |
| No. of reflections used in refinement | 145352 |
| No. of reflections in test set for Rfree | 7695 |
| R.m.s. deviations from target values | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.2 |
| Ramachandran plot analysis†, residues in | |
| Most favoured regions (%) | 92.7 |
| Additionally allowed regions (%) | 7.1 |
| Generously allowed regions (%) | 0.2 |
| Disallowed regions (%) | 0.0 |
†
Calculated using PROCHECK (Laskowski et al., 1993 ▶).