Table 2.
Phasing and refinement statistics for YckF structure
| Phasing | ||||
|---|---|---|---|---|
| Energies | Resolution (Å)a | Number of reflectionsa | Phasing powera | FOMa |
| Inflection point | 40–2.7 (2.81–2.7) | 19 239 (2148) | 5.57 (3.89) | 0.46 (0.40) |
| Peak | 40–2.7 (2.81–2.7) | 19 115 (2120) | 5.42 (3.89) | 0.51 (0.41) |
| Remote | 40–2.7 (2.81–2.7) | 19 036 (2100) | 3.98 (2.59) | 0.52 (0.40) |
| Overall | 40–2.7 (2.81–2.7) | 19 497 (2191) | 0.85 (0.70) | |
| FOM after phase extension with density modification in 50–2.5Å shell | 0.94 (0.88) | |||
| Refinement | ||||
| Resolution (Å) | 62–1.95 | 2.0–1. 95 | ||
| Number of reflections | 26 023 | 1745 | ||
| R factor % | 18.9 | 20.1 | ||
| R free % | 22.4 | 26.9 | ||
| Correlation | 95.6 | |||
| Correlation free | 94.3 | |||
| All nonhydrogen atoms | 3012 | |||
| Solvent atoms | 203 | |||
| Mean B-factor | 18.4 | |||
| Deviations from ideal | Refined | Target | ||
| Covalent bonds | 0.024 | 0.021 | ||
| Bond angles | 1.83 | 1.967 | ||
| Planarity | 0.008 | 0.02 | ||
| Chiral centers | 0.11 | 0.20 | ||
| Torsion angles 1 | 5.85 | 5.0 | ||
| Torsion angles 2 | 40.37 | 26.47 | ||
| Torsion angles 3 | 19.25 | 15.0 | ||
| VDW contacts | 0.244 | 0.20 | ||
a
In the highest-resolution shell.