1O5F
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 | 2002-09-29 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.020, 47.950, 63.380 |
| Unit cell angles | 90.00, 105.23, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.780 |
| R-factor | 0.197 |
| Rwork | 0.193 |
| R-free | 0.23100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.900 |
| 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] | 25.780 | 1.860 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.058 | 0.332 |
| Number of reflections | 29302 | |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 88.7 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.6 | 290 | 0.2 M ammonium fluoride, 20-25% PEG 3350, 50 mM Tris, pH 7.6, vapor diffusion at 290 K |
