1O5G
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 285 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-05-22 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.340, 72.040, 72.950 |
| Unit cell angles | 90.00, 100.83, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.750 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.23800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.600 |
| Data reduction software | CrystalClear (1.3) |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.690 | 1.830 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.068 | 0.418 |
| Number of reflections | 35940 | |
| <I/σ(I)> | 7.1 | 1 |
| Completeness [%] | 98.1 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 2-propanol, PEG 4000, pH 6.5, vapor diffusion at 298 K, pH 7.50 |
