1O5E
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 | 2002-11-07 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.770, 47.880, 63.330 |
| Unit cell angles | 90.00, 104.77, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.750 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.22700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 4.000 |
| 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] | 25.800 | 1.830 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.072 | 0.435 |
| Number of reflections | 29472 | |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 85.1 | |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 290 | 0.2 M ammonium fluoride, 20-25% PEG 3350, pH 7.6, vapor diffusion at 290 K Soak in synthetic mother liquor - CRA-10302 at pH 6.9., pH 6.5 |
