1O33
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 | 2001-11-15 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.780, 63.380, 69.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.460 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.19400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| 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] | 46.960 | 1.530 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.069 | 0.379 |
| Number of reflections | 39460 | |
| <I/σ(I)> | 16.6 | 0.75 |
| Completeness [%] | 79.5 | |
| Redundancy | 2.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (7.24). vapor diffusion at 298 K, pH 8.10 |
