1O5A
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 | 2002-02-01 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.780, 49.870, 66.740 |
| Unit cell angles | 90.00, 113.41, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.680 |
| R-factor | 0.212 |
| Rwork | 0.209 |
| R-free | 0.24500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.017 |
| RMSD bond angle | 4.200 |
| 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] | 23.920 | 1.760 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.059 | 0.414 |
| Number of reflections | 26514 | |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 93.7 | |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 2-propanol, PEG 4000, pH 6.5, vapor diffusion at 298 K, pH 6.5, pH 6.50 |
