Table 1.
Crystallographic data collection and refinement statistics for T. brucei rhodesiense pro-rhodesain C150A
| PDB entry | 7AVM |
|---|---|
| Data collection | |
| Wavelength | 1.54179 |
| Space group | H3 |
| Cell parameters | |
| a; b; c | 123.19 Å; 123.19 Å; 53.91 Å |
| α; β; γ | 90.00°; 90.00°; 120° |
| Resolution range [Å] | 37.92–2.8 (2.9–2.8) |
| Unique reflections | 7512 (729) |
| Multiplicity | 20.6 (19.8) |
| Overall completeness [%] | 97.23 (92.73) |
| <I/σ(I)> | 3.63 (at 2.81 Å) |
| Refinement | |
| Rwork, Rfree | 0.255, 0.264 |
| Rmerge | 0.611 |
| Average B-Factor [Å2] | 41.2 |
| Protein residues | 308 |
| No. of solvent molecules | 38 |
| Ligand atoms | 6 |
| Total non-H atoms | 2379 |
| RMSD from ideal geometry | |
| Bond lengths [Å] | 0.010 |
| Bond angles [°] | 1.60 |
| Ramachandran | |
| Favored | 91.7% |
| Allowed | 8.3% |
| Outliers | 0% |
Numbers in parentheses characterize the highest-resolution shell.