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 |