Table 1. Structure solution and refinement.
Values in parentheses are for the outer shell.
| PDB entry | 7xc0 |
| Space group | P32 |
| Resolution range (Å) | 24.45–1.56 (1.62–1.56) |
| a, b, c (Å) | 56.46, 56.46, 80.45 |
| α, β, γ (°) | 90.00, 90.00, 120.00 |
| Total No. of reflections | 149225 |
| No. of unique reflections | 38539 |
| R merge | 0.069 (0.32) |
| 〈I/σ(I)〉 | 10.6 (2.9) |
| CC1/2 | 0.997 (0.389) |
| Multiplicity | 3.9 |
| Completeness (%) | 94.2 (87.7) |
| No. of reflections, working set | 38471 (3574) |
| No. of reflections, test set | 1980 (174) |
| R work/R free (%) | 17.81/20.74 |
| No. of non-H atoms | |
| Protein | 2318 |
| Ligand | 5 |
| Water | 189 |
| Protein residues | 287 |
| Average B factors (Å2) | |
| Protein | 31.0 |
| Ligand | 22.1 |
| Water | 39.8 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.003 |
| Angles (°) | 0.6 |
| Ramachandran plot† (residues) | |
| Favored | 276 |
| Allowed | 8 |
| Outliers | 1 |
†
The Ramachandran plot was calculated by MolProbity, which excluded the N- and C-terminal residues during calculation.