Table 1. Data collection and refinement statistics for the Streptococcus pyogenes GH38 α−mannosidase.
| Data collection | Se “Peak” | Native | Swainsonine |
| Resolution range (Å) | 50–3.00 (3.11–3.00) | 50–1.90 (1.97–1.90) | 50–2.60 (2.69–2.60) |
| Space group | P43212 | P21 | P43212 |
| Unit cell dimensions | |||
| a, b, c (Å) | 180.8, 180.8, 194.7 | 92.6, 88.5, 134.7 | 178.7, 178.7, 198.2 |
| α, β, γ (°) | 90, 90, 90 | 90, 109.0, 90 | 90, 90, 90 |
| Completeness (%) | 100 (100) | 99.4 (99.1) | 99.8 (100) |
| Rmerge | 0.088 (0.24) | 0.052 (0.45) | 0.053 (0.39) |
| Redundancy | 16.3 (16.6) | 3.3 (3.0) | 6.8 (7.0) |
| I/σ(I) | 20.0 (11.2) | 14.4 (2.0) | 25.7 (4.1) |
| Refinement | n/a | ||
| Resolution range (Å) | 50–1.90 (1.97–1.90) | 50–2.60 (2.69–2.60) | |
| Unique reflections | 152396 | 93181 | |
| Rwork/Rfree (%) | 17.8/ 20.5 | 18.7/22.3 | |
| Rmsd bond lengths (Å) | 0.009 | 0.009 | |
| Rmsd bond angles (°) | 1.1 | 1.1 | |
| Number of atoms | |||
| Protein | 14433 | 14790 | |
| Ligand/ion | 0/2 | 24/2 | |
| Solvent | 995 | 417 | |
| Average B factors (Å2) | |||
| Protein | 16 | 30 | |
| Ligand/ion | —/29 | 50/72 | |
| Solvent | 21 | 34 | |
| Rmsd B bonded-atoms (main-chain/side-chain/ligand) | 0.44/1.4/— | 0.37/1.0/1.2 | |
| Ramachandran plot (%) | |||
| Most favored | 96.1 | 96.3 | |
| Allowed | 3.3 | 3.4 | |
| Outliers | 0.6 | 0.3 | |
| PDB Code | 2WYH | 2WYI |