Table 1. X-ray diffraction data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| X-ray diffraction data | |
| PDB entry | 6hrd |
| Beamline | I04-1, Diamond Light Source |
| Wavelength (Å) | 0.92819 |
| Space group | P43 |
| a, b, c (Å) | 90.22, 90.22, 284.7 |
| Molecules per asymmetric unit | 6 |
| Resolution (Å) | 90.2–2.11 (2.16–2.11) |
| R merge † (%) | 9.9 (104) |
| Total reflections | 881634 |
| Unique reflections | 129955 |
| 〈I/σ(I)〉 | 13.8 (1.6) |
| Completeness (%) | 100 (100) |
| Multiplicity | 6.8 (5.7) |
| CC1/2 † | 0.998 (0.583) |
| Refinement | |
| Resolution range | 90.22–2.11 |
| Unique reflections | 123371 |
| R cryst/R free (%) | 19.0/22.1 |
| No. of non-H atoms | |
| Total | 13117 |
| Protein | 12675 |
| Solvent | 424 [water], 18 [glycerol] |
| R.m.s.d., bonds (Å) | 0.013 |
| R.m.s.d., angles (°) | 1.63 |
| B factors (Å2) | |
| Wilson | 39.9 |
| Average overall | 42.2 |
| Average protein | 42.4 |
| Average solvent | 36.4 |
| R.m.s.d. for B factors | 1.18 |
| Ramachandran plot‡ | |
| Favoured region (%) | 96.7 |
| Disallowed (%) | 0.18 [3 residues] |