TABLE 1.
Data processing and structure refinement statistics for Ani-PME2
| PNGaseF-treated PME2 | EndoHf-treated PME2 | |
|---|---|---|
| Data collection and processing | ||
| Crystal system | Orthorhombic | Orthorhombic |
| Space group | C2221 | C2221 |
| Unit cell: a, b, c (Å) | 75.25, 113.84, 88.74 | 74.61, 113.54, 88.77 |
| Resolution range(highest shell) (Å) | 88.74–1.80 (1.86–1.80) | 62.35–1.75 (1.81–1.75) |
| No. of reflections | 32,510 | 34,821 |
| Rmerge | 0.075 (0.313) | 0.084 (0.366) |
| I/σ(I) (post-averaging) | 9.8 (3.7) | 8.3 (3.1) |
| Completeness | 95.7 (91.4) | 95.6% (89.6) |
| Redundancy | 3.79 (3.75) | 3.94 (3.71) |
| Wilson B value (Å2) | 19.4 | 19.0 |
| Structure refinement | ||
| Z′ | 1 | 1 |
| Rcryst | 0.170 | 0.171 |
| Rfree | 0.203 | 0.201 |
| Amino acid residues | 29–327 | 29–327 |
| No. of amino acid atom sites | 2280 | 2335 |
| No. of water molecules | 312 | 323 |
| Other atoms/groups | 2.25 glycerol/3.5 SO42−/1 Cl−/0.5 CH3COO− | 3 glycerol/4.5 SO42−/1 Cl−/0.5CH3COO−/1 NAG |
| Average B value: protein/water/other (Å2) | 18.9/30.4 /33.9 | 19.8/31.1/44.3 |
| Root mean square deviation bond distances (Å) | 0.0069 | 0.0082 |
| Root mean square deviation bond angles (o) | 1.26 | 1.31 |
| Ramachandran | ||
| % Favored/allowed/forbidden | 95.5/4.2/0.3 (Met276) | 95.2/4.5/0.3 (Met276) |
| PDB code | 5c1c | 5c1e |