TABLE 3.
Statistics of SagUGL for x-ray diffraction data and structure refinement
| Data collection | |
| Wavelength (Å) | 0.70 |
| Resolution range (Å) | 50.00–1.75 (1.81–1.75)a |
| Space group | P3221 |
| Unit cell parameters (Å) | a = b = 116.08, c = 78.13 |
| Total observations | 774,026 |
| Independent reflections | 61,457 |
| Completeness (%) | 100 (100) |
| I/σ(I) | 33.2 (3.89) |
| Rmerge | 0.056 (0.38) |
| Refinement | |
| R factor (%) | 18.2 |
| Free R factor (%) | 21.4 |
| No. of molecules/asymmetric unit | 1 |
| No. of nonhydrogen atoms | |
| Protein | 3,329 |
| Heterogen | 33 |
| Solvent | 407 |
| Average B factor (Å2) | 21.1 |
| Root mean square deviation from ideal | |
| Bond length (Å) | 0.007 |
| Bond angles (degree) | 1.001 |
a The values for the outer resolution shell are given in parentheses.