Table 1. Crystallographic data.
| SeMet
|
||||
|---|---|---|---|---|
| Native | Peak | Inflection | Remote | |
| Data collection | ||||
| Wavelength, Å | 0.97950 | 0.97950 | 0.97970 | 0.97700 |
| Resolution, Å | 2.7 | 3.2 | 3.0 | 3.0 |
| Highest shell, Å | 2.85-2.70 | 3.27-3.20 | 3.16-3.00 | 3.16-3.00 |
| Space group | P42212 | |||
| a = b, Å | 135.9 | 134.9 | ||
| c, Å | 169.2 | 168.1 | ||
| No. of unique reflections | 42,707 | 26,249 | 32,080 | 32,140 |
| Redundancy | 5.7 (5.5) | 4.1 (3.9) | 4.8 (4.9) | 4.6 (3.6) |
| I/σ | 7.2 (1.9) | 6.2 (2.1) | 7.2 (1.8) | 7.3 (1.1) |
| Completeness, % | 99.3 (98.7) | 99.9 (100) | 99.9 (100) | 99.6 (97.6) |
| Anom. completeness, % | — | 99.7 | 99.9 | 97.5 |
| Rmerge, % | 8.3 (36) | 10.5 (33) | 9.4 (39) | 11.0 (63) |
| Phasing | ||||
| Resolution shell | 13.12 7.69 | 5.98 5.06 | 4.47 3.72 | 3.46 3.16 |
| Figure of merit | 0.74 0.67 | 0.62 0.55 | 0.50 0.34 | 0.27 0.13 |
| Mean figure of merit | 0.39 | |||
Values in parentheses are for the highest-resolution shell.