1O3M
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 | 2002-01-13 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.770, 63.520, 69.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.550 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.20000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| 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] | 46.860 | 1.620 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.085 | 0.247 |
| Number of reflections | 30726 | |
| <I/σ(I)> | 13.4 | 0.59 |
| Completeness [%] | 73.7 | |
| Redundancy | 1.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (8.60). vapor diffusion at 298 K, pH 8.10 |
