Table 1.
Data collection and refinement statistics
| SeMet | |||
|---|---|---|---|
| Data collection | |||
| Space group | P212121 | ||
| Cell dimensions (Å) | a=56.3 b=71.4 c=122.6 | ||
| α=β=γ=90° | |||
| Resolution (Å) | 20–2.9 (3.0–2.9) | ||
| Wavelength | λpeak=0.9791 | λinfl=0.9797 | λremote=0.9000 |
| Robs | 16.1 (43.5) | 12.1 (29.2) | 12.9 (34.6) |
| I/σI | 7.94 (3.22) | 6.79 (2.84) | 6.15 (2.59) |
| Completeness (%) | 99.4 (99.0) | 98.2 (97.4) | 98.1 (98.4) |
| Redundancy | 4.7 | 2.4 | 2.6 |
| Native 1 | Native 2 | |
|---|---|---|
| Data collection | ||
| Space group | P1 | P212121 |
| Cell dimensions (Å) | a=70.6 b=77.0 c=103.9 | a=70.4 b=71.1 c=191.6 |
| α=79.3° β=73.4° γ=74.3° | α=β=γ=90° | |
| Wavelength | 1.176 | 0.9764 |
| Resolution (Å) | 15–2.3 (2.4–2.3) | 20–2.7 (2.8–2.7) |
| Robs | 9.8 (24.6) | 7.5 (22.8) |
| I/σI | 7.2 (3.8) | 10.2 (4.9) |
| Completeness (%) | 94.5 (88.2) | 98.6 (99.7) |
| Redundancy | 2.95 | 5.8 |
| Refinement | ||
| Resolution (Å) | 15–2.3 | 19.8–2.7 |
| No. of unique reflections | 79 984 | 25 487 |
| Rwork/Rfree | 22.37/26.94 | 24.4/30.4 |
| No. of atoms | 12 129 | 5006 |
| Protein | 9192 | 4602 |
| B-factors | 56.6 | 48.7 |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.02 | 0.02 |
| Bond angles (deg) | 2.5 | 2.2 |