Table 1A.
Statistics of X-ray diffraction data and structure refinement
| Crystal parameters and refinement statistics | |
|---|---|
| Space group | C2 |
| Cell dimensions | A = 158.41Å b = 93.88Å c = 98.42Å β = 127.91° |
| Volume fraction of protein | 58.6% |
| Vm (Å3/Dalton) | 3.09 |
| Total number of residues | 801 |
| Total non-H atoms | 6591 |
| Number of water molecules | 494 |
| Number of sulfate ions | 6 |
| Number of magnesium ions | 3 |
| Average temperature factors | |
| Protein | 35.5 Å2 |
| Solvent | 44.2 Å2 |
| Magnesium ions | 39.1 Å2 |
| Sulfate ions | 34.3 Å2 |
| Resolution range of reflections used | 20.0–2.2 Å |
| Amplitude cutoff | 0.0 σ |
| R-factor | 21.7% |
| Free R-factor | 26.3% |
| Stereochemical ideality: bond | 0.012 Å |
| angle | 1.36° |
| improper | 0.74° |
| dihedral | 23.22° |