Table 2.
Summary of crystallographic data
| Data set | VgbSe-Met* | VgbWT | VgbI+L·quin·Mg2+ |
|---|---|---|---|
| Space group | C2 | P212121 | P212121 |
| Cell parameter, Å, ° | a = 93.0 | a = 73.5 | a = 71.0 |
| b = 34.8 | b = 79.2 | b = 93.7 | |
| c = 86.6 | c = 188.2 | c = 95.3.2 | |
| β = 117.7 | |||
| Wavelength, Å | 0.9000 | 1.0999 | 1.5418 |
| Resolution, Å | 50–1.65 | 50–1.9 | 50–2.8 |
| Completeness, % | 96.7 (78.2) | 98.9 (93.9) | 91.1 (94.1) |
| Redundancy | 7.5 (6.0) | 4.5 (3.1) | 4.1 (3.8) |
| No. of reflections | 29,320 | 86,401 | 14,813 |
| Rsym, % | 3.8 (38.8) | 8.1 (46.1) | 13.6 (31.0) |
| Rfactor/Rfree, % | 15.7/20.5 | 14.4/20.5 | 26.3/31.9 |
| No. protein atoms | 2,312 | 9,337 | 4,548 |
| No. Synercid atoms | — | — | 242 |
| Water/ions | 210/1 | 1,083/5 | 64/4 |
| Bond length, Å | 0.026 | 0.022 | 0.007 |
| Bond angle, ° | 2.4 | 1.9 | 1.4 |
Data in parentheses represent the outermost shell.
*Statistics are shown for the data set used in refinement (SI Table 3).