1O2R
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-15 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.750, 63.520, 69.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.450 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.21900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.017 |
| RMSD bond angle | 3.500 |
| Data reduction software | bioteX (1.2) |
| Data scaling software | bioteX |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.730 | 1.520 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.095 | 0.274 |
| Number of reflections | 36940 | |
| <I/σ(I)> | 10.1 | 0.75 |
| Completeness [%] | 73.1 | |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (8.04). vapor diffusion at 298 K, pH 8.10 |
