1O5C
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 | 81.710, 50.280, 66.200 |
Unit cell angles | 90.00, 113.04, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.630 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.21900 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.017 |
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] | 41.800 | 1.700 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.073 | 0.400 |
Number of reflections | 30503 | |
<I/σ(I)> | 8 | |
Completeness [%] | 98.3 | |
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 |