Table 1. Crystallographic statistics.
Values in parentheses are for the highest resolution shell.
| Diffraction source | Beamline 7-1, SSRL |
| Wavelength (Å) | 1.1271 |
| Resolution range (Å) | 33.47–2.25 (2.33–2.25) |
| Space group | P3221 |
| a, b, c (Å) | 53.5, 53.5, 193.4 |
| α, β, γ (°) | 90, 90, 120 |
| Total No. of reflections | 81192 (5079) |
| No. of unique reflections | 15829 (765) |
| Mosaicity (°) | 1.7 |
| Multiplicity | 5.1 (3.8) |
| Completeness (%) | 92 (85) |
| 〈I/σ(I)〉 | 14.44 (0.39) |
| Overall B factor from Wilson plot (Å2) | 50.78 |
| R merge | 0.185 (3.61) |
| R meas | 0.205 (4.17) |
| CC1/2 | 0.99 (0.16) |
| CC* | 1.00 (0.53) |
| No. of reflections, working set | 16102 (764) |
| No. of reflections, test set | 757 (38) |
| R work | 0.275 (0.491) |
| R free | 0.290 (0.528) |
| Cruickshank DPI | 0.245 |
| No. of non-H atoms | |
| Total | 2093 |
| Protein | 2065 |
| Ligand | 14 |
| Solvent | 14 |
| R.m.s. deviations | |
| Bonds (Å) | 0.009 |
| Angles (°) | 0.96 |
| Average B factors (Å2) | |
| Overall | 82.60 |
| Protein | 82.83 |
| Ligand | 73.56 |
| Ramachandran plot | |
| Most favored (%) | 96.0 |
| Allowed (%) | 4.0 |
| PDB code | 5k89 |