2P7U
The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-05-15 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.377, 39.716, 39.566 |
| Unit cell angles | 120.38, 93.89, 101.18 |
Refinement procedure
| Resolution | 19.460 - 1.650 |
| R-factor | 0.137 |
| Rwork | 0.135 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1F2A WITHOUT INHIBITOR OR WATERS WITH SIDE CHAINS THAT DIFFER CUT BACK TO ALANINE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.673 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.700 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.047 | 0.147 |
| Number of reflections | 18751 | |
| Completeness [%] | 89.7 | 83.7 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 1.0 M Sodium citrate; imidazole pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
