Table 1. Crystal parameters, data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell (native, 2.59–2.50 Å; SeMet, 3.63–3.50 Å).
| SeMet | ||||
|---|---|---|---|---|
| Native | Inflection | Peak | Remote | |
| Crystal parameters | ||||
| Space group | C2221 | C2221 | ||
| Unit-cell parameters | ||||
| a (Å) | 58.2 | 58.1 | ||
| b (Å) | 95.9 | 96.0 | ||
| c (Å) | 167.5 | 167.2 | ||
| No. of molecules in ASU | 1 | 1 | ||
| Data collection | ||||
| X-ray source and detector | BNL (X25)/ADSC Q315 CCD | |||
| Resolution (Å) | 2.5 | 3.5 | ||
| Total observations | 109448 | 38377 | 38181 | 37311 |
| Unique reflections | 16710 | 6213 | 6259 | 6181 |
| Completeness (%) | 97.8 (99.8) | 98.4 (93.3) | 98.2 (91.9) | 98.3 (92.3) |
| Redundancy | 6.7 (6.7) | 6.3 (6.0) | 6.2 (5.7) | 6.1 (5.6) |
| Rsym† | 0.071 (0.29) | 0.059 (0.09) | 0.065 (0.10) | 0.050 (0.07) |
| 〈I/σ(I)〉 | 21.30 (5.4) | 30.2 (18.3) | 30.7 (17.5) | 20.5 (12.1) |
R
sym =
.