Table I. Crystallographic data statistics for native NaeI and the selenomethionyl mutant.
| Data | Wavelength (Å) | Resolution (Å) | Reflections |
Rsym | Completeness (%) | <I/σ> | |
|---|---|---|---|---|---|---|---|
| Total | Unique | ||||||
| Native | 0.97887 | 2.3 | 68 874 | 25 755 | 0.055 | 88.1 | 16.3 |
| SeNae(L1) | 0.97873 | 2.5 | 102 240 | 40 250 | 0.061 | 88.7 | 11.6 |
| SeNae(L2) | 0.97884 | 2.5 | 102 104 | 40 259 | 0.061 | 88.7 | 11.4 |
| SeNae(L3) | 0.95641 | 2.5 | 105 843 | 40 991 | 0.060 | 90.3 | 11.3 |
| Refinement | |||||||
| Space group | P21 | ||||||
| Unit cell | a = 99.4, b = 55.9 c = 59.0 Å and β = 95.7° | ||||||
| Resolution | 50–2.3 Å | ||||||
| Reflections | 25 672 (87.9%) | ||||||
| R-factor | 0.238 | ||||||
| R-free | 0.287 (8.7%) | ||||||
| Root mean square errors | |||||||
| bond length | 0.006 Å | ||||||
| angle | 1.29° | ||||||
| Protein residues | 10–190, 195–253, 259–311 | ||||||
| Water molecules | 91 | ||||||
| Average B-factors (Å2) | |||||||
| molecular A | 56.8 | ||||||
| molecular B | 42.8 | ||||||
| water | 33.1 | ||||||
Automatic MAD phasing by SOLVE resulted in a figure of merit of 0.52 at 2.5 Å resolution.