Table 1.
Data collection and refinement statistics.
Values for highest resolution shell (1.9–1.97 Å for native crystals and 3.4–3.52 Å for SeMet-containing crystals) are shown in parentheses.
| Wavelength (Å) | Resolution (Å) | Rmerge (%) | Completeness (%) | I/σ(I) at high resolution | |
|---|---|---|---|---|---|
| Crystal 1 (SeMet) | |||||
| Peak | 0.97936 | 50–3.4 | 9.7 (43.1) | 99.9 (99.9) | 4.7 |
| Inflection | 0.97950 | 50–3.4 | 11.1 (56.9) | 99.9 (99.9) | 3.1 |
| Low remote | 1.00800 | 50–3.4 | 10.8 (58.0) | 99.7 (99.0) | 1.9 |
| Crystal 2 (native) | 0.97934 | 50–1.9 | 7.8 (67.7) | 100 (100) | 3 |
| Refinement. | |||||
| Resolution (Å) | 50–1.9 | ||||
| No. of protein non-H atoms | 3238 | ||||
| No. of Mg atoms | 3 | ||||
| No. of water molecules | 228 | ||||
| No. of reflections | 36763 | ||||
| No. of test-set reflections (5%) | 1823 | ||||
| R (%) | 20.1 (25.4) | ||||
| Free R (%) | 23.5 (29.7) | ||||
| R.m.s.d. bonds (Å) | 0.009 | ||||
| R.m.s.d. angles (°) | 1.5 | ||||
| Overall B factor (Å2) | 30.8 | ||||
| Ramachandran plot† | |||||
| Most favored regions (%) | 93.9 | ||||
| Allowed regions (%) | 4.4 | ||||
| Generously allowed regions (%) | 1.7 | ||||
| Disallowed regions (%) | 0.0 | ||||
Ramachandran plot parameters were calculated using PROCHECK (Laskowski et al., 1993).