Table 1. Crystallographic Data and Refinement Statistics.
| Native | SeMet (2 crystals) | |
|---|---|---|
| Data Collection | ||
| Space group | P212121 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 65.3, 84.0, 114.8 | 65.2, 85.1, 116.4 |
| α,β,γ (°) | 90.0, 90.0, 90.0 | 90, 90, 90 |
| Wavelength | 0.97941 | 0.97872 |
| Resolution (Å) | 67.0 – 2.1 | 68.7 – 2.3 |
| Rmeas | 7.0 (108) | 17.2 (106) |
| CC(1/2) | 99.9 (70.1) | 99.4 (73.9) |
| I/σ/ | 17.4 (1.9) | 9.0 (1.5) |
| Completeness (%) | 99.5 (99.3) | 99.4 (97.8) |
| Redundancy | 5.7 (5.8) | 6.2 (3.7) |
| Refinement | ||
| Resolution (Å) | 67.0 – 2.1 | 19.9 – 2.3 |
| No. reflections | 213078 | 342463 |
| No. unique reflections | 37408 | 55605 |
| Rwork/Rfree | 19.2/24.0 | |
| No. atoms | ||
| Protein | 4095 | |
| Water | 279 | |
| B-factors | ||
| Protein | 23.1 | |
| Water | 48.0 | |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.017 | |
| Bond angles (°) | 1.707 |