Table 1. Crystallographic Data and Refinement Statistics.
| crystallographic data | |
|---|---|
| X-ray source | 19-ID, APS |
| wavelength (Å) | 0.97918 |
| space group | C121 |
| a, b, c (Å), β (deg) | 128.37, 41.82, 82.65, 98.30 |
| resolution (Å) | 36.3–3.06 (3.15–3.06) |
| total no. of reflections | 23 999 |
| no. of unique reflections | 8013 (389) |
| multiplicity | 3.0 (3.1) |
| completeness (%) | 96.8 (98.0) |
| mean I/σ(I) | 12.3 (2.8) |
| Rmeas | 0.118 (0.427) |
| Rpim | 0.065 (0.233) |
| Rsym | 0.097 (0.356) |
| refinement statistics of the current model | |
|---|---|
| reflections used in the refinement | 7889 (602) |
| reflections used for Rfree | 389 (25) |
| Rwork/Rfree (%) | 23.3/26.8 |
| RMSD bond lengths (Å) | 0.011 |
| RMSD bond angles (deg) | 1.48 |
| no. of macromolecules | 2197 |
| average B-factor (Å2) | 79 |
| Ramachandran analysis (%) | |
| favored | 90.8 |
| allowed | 9.2 |
| outliers | 0.0 |
| rotamer outliers (%) | 0.0 |