Table 1. Data-collection and refinement statistics.
| Apo-MenF | MenF–Mg2+ complex | |
|---|---|---|
| PDB code | 3bzm | 3bzn |
| Space group | P3221 | P212121 |
| Unit-cell parameters (Å) | a = b = 72.4, c = 164.0 | a = 65.3, b = 70.5, c = 90.3 |
| No. of measured intensities | 289609 | 85731 |
| No. of unique reflections | 36355 | 28882 |
| Resolution of data (Å) | 19.67–1.95 | 29.62–2.00 |
| Rmerge | 0.064 (0.474) | 0.074 (0.322) |
| Completeness (%) | 98.1 (84.8) | 99.2 (95.7) |
| Redundancy | 7.97 (4.61) | 2.97 (2.82) |
| Mean I/σ(I) | 14.7 (2.6) | 9.2 (3.2) |
| Refinement statistics | ||
| Resolution limits | 19.69–1.95 | 20.00–2.00 |
| R | 0.245 (0.349) | 0.202 (0.298) |
| Rfree | 0.308 (0.398) | 0.284 (0.374) |
| No. of water molecules | 104 | 218 |
| R.m.s.d. bond length (Å) | 0.020 | 0.021 |
| Ramachandran plot, preferred (%) | 92.0 | 94.7 |
| Ramachandran plot, allowed (%) | 6.6 | 5.3 |
| Ramachandran plot, outliers (%) | 1.4 | 0.0 |
| Average B factor (Å2) | ||
| Main chain | 47.9 | 28.3 |
| Side chain | 49.4 | 29.5 |
| Water | 44.9 | 30.0 |