Table 1.
Data collection and refinement statistics
| A. Crystal | |
|---|---|
| Space group | P43 |
| Cell dimensions (Å) | 72.9 × 72.9 × 106.5 |
| B. Data collection statistics | Absorption peak | Inflection point | Remote |
|---|---|---|---|
| Wavelength (Å) | 0.97892 | 0.97907 | 0.96407 |
| No. observed reflections | 53,721 | 54,774 | 54,846 |
| No. unique reflections | 15,348 | 15,256 | 15,272 |
| Resolution limits (Å) | 43.07-2.70 (2.80-2.70)a | 46.35-2.70 (2.80-2.70) | 43.00-2.70 (2.80-2.70) |
| Mosaicity (degrees) | 1.97 | 1.94 | 1.94 |
| Completeness (%) | 99.6 (99.8) | 99.7 (99.7) | 99.6 (99.9) |
| Redundancy | 3.5 (3.4) | 3.6 (3.5) | 3.6 (3.4) |
| Rmerge (%) | 9.9 (52.3) | 8.5 (45.0) | 8.2 (44.0) |
| I/σ (I) | 6.2 (1.6) | 7.5 (1.9) | 7.7 (2.0) |
| C. Refinement statistics | |
|---|---|
| R factor (%) | 26.5 |
| Free R factor (%) | 32.4 |
| rmsd in bond lengths (Å) | 0.009 |
| rmsd in bond angles (degrees) | 1.19 |
| Ramachandran plot most favored (%) | 92.3 |
| Additional allowed (%) | 7.1 |
| Generously allowed (%) | 0.0 |
| Disallowed (%) | 0.6 |
a
Values in parentheses are for the data in the outermost shell.