Table 1.
Crystallographic Data
| H162G-SMTC | |
|---|---|
| Space group | P21212 |
| Cell constants (Å) | a=86.3, b=127.5, c=47.3 |
| Resolution (Å) (outer shell) | 20.-2.8 (2.91-2.8) |
| Rmerge (%) (outer shell) | 0.137 (0.465) |
| <I/σ|> (outer shell) | 5.4 (1.9) |
| Completeness (%) (outer shell) | 96.7 (95.0) |
| Unique reflections | 12,825 |
| Redundancy | 3.4 |
| # of residues | 508 |
| # of protein atoms | 3976 |
| # of ligand atoms | 24 |
| # of solvent atoms | 59 |
| Rworking | 0.233 |
| Rfree | 0.297 |
| Average B factor for protein atoms (Å2) | 30.1 |
| Average B factor for ligand atoms (Å2) | 31.5 |
| Average B factor for solvent atoms (Å2) | 12.0 |
| rms deviation from ideality | |
| bonds (Å) | 0.008 |
| angles (º) | 1.37 |
| Ramachandran plot | |
| % of residues in most favored region | 80.2 |
| % of residues in additional allowed region | 18.4 |
| % of residues in generously allowed region | 1.4 |