Table 1.
Refinement and validation statistics. Ramachandran plot was calculated using MOLPROBITY. Numbers in parenthesis refer to the highest resolution shell.
| Protein | Se-Met | Native |
|---|---|---|
| PDB code | 4N7D | 4N7C |
| Resolution (Å) | 50.0–2.1 (2.18–2.10) | 50.0–1.75(1.81–1.75) |
| Unique reflections | 51198 (5140) | 45386 (4520) |
| Completeness (%) | 100.0(100.0) | 99.9(100.0) |
| R (%) | 17.6 | 18.6 |
| Rfree (%) | 21.7 | 21.3 |
| Mean B value (Å2) | 31.6 | 37.4 |
| RMS deviation bond lengths (Å) | 0.018 | 0.024 |
| RMS deviation bond angles (°) | 2.0 | 2.2 |
| Number of amino acid residues | 172 | 174 |
| Number of water molecules | 117 | 127 |
| Ramachandran plot | ||
| Most favored regions (%) | 86.9 | 85.5 |
| Additional allowed regions (%) | 11.9 | 13.2 |