Table 1.
Summary of crystallographic data and refinement
| Data collection | |
| Space group | P212121 |
| Cell constants (Å) | a=32.926, b=53.833, c=53.912 |
| Wavelength (Å) | 0.9796 |
| Resolution (Å) | 1.6 |
| Last shell (Å) | 1.65–1.59 |
| No. of unique reflections (last shell) | 24 672 (2382) |
| Redundancy (last shell) | 7.0 (4.1) |
| Rsym (last shell) (%) | 3.2 (6.0) |
| I/sigma (last shell) | 41 (21) |
| Completeness (last shell) (%) | 99.5 (95.7) |
| Figure of merit (last shell) | 0.45 (0.40) |
| Phasing power (last shell) | 2.52 (1.78) |
| Refinement | |
| Resolution (Å) | 20.0–1.6 |
| Rwork/Rfree (%) | 23.2 (25.0) |
| rmsd bond lengths (Å) | 0.00526 |
| rmsd bond angles (deg) | 1.169 |
| rmsd improper angles (deg) | 0.76 |
| rmsd dihedral angles (deg) | 21.0 |
| Residues in favored Ramachandran region | 91 |
| Residues in additionally allowed region | 1 |
| Residues in generously or disallowed region | 0 |
| B value rmsd (main/side) | 1.0/2.2 |
| No. of water molecules |
100 |
| Rsym=∑∑j∣Ij−〈I〉∣/∑Ij. | |
| Phasing power=[∑∣F+−F−∣2/∑∣E∣2]1/2, where the denominator is the lack of closure error. | |
| Rwork, free=∑∣∣Fobs∣−∣Fcalc∣∣/∣Fobs∣ for the reflections used in refinement (work) and 10% of reflections held aside (free). | |