Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution bin.
| AadA (SeMet) | AadA (native)† | |
|---|---|---|
| Data collection | ||
| Space group | P21212 | P21212 |
| Unit-cell parameters (, ) | a = 49.0, b = 104.6, c = 58.8, = = = 90 | a = 48.6, b = 104.6, c = 58.6, = = = 90 |
| Resolution range () | 20.02.7 (2.802.70) | 39.02.5 (2.652.50) |
| Wavelength () | 0.9793 | 1.000 |
| Unique reflections | 14255 | 10853 |
| Completeness (%) | 99.1 (100) | 99.7 (98.5) |
| Multiplicity | 3.77 (3.87) | 7.05 (7.14) |
| R meas (%) | 8.1 (70.6) | 8.1 (94.7) |
| I/(I) | 12.6 (2.0) | 17.0 (2.1) |
| Refinement | ||
| Resolution range () | 39.02.5 | |
| Reflections (test set) | 522 | |
| No. of atoms | ||
| Protein | 2052 | |
| Water | 36 | |
| R work/R free (%) | 22.6/26.6 | |
| Average B factor (2) | 57.3 | |
| R.m.s.d. from ideal | ||
| Bond lengths () | 0.005 | |
| Bond angles () | 1.09 | |
| Ramachandran plot | ||
| Preferred (%) | 95.4 | |
| Allowed (%) | 3.5 | |
| Outliers (%) | 1.2 | |
†
Friedel pairs were merged for the native data set.