1O3H
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 | 2001-12-06 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.740, 63.070, 69.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.530 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.20800 |
| 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] | 46.700 | 1.570 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.083 | 0.267 |
| Number of reflections | 32657 | |
| <I/σ(I)> | 8.75 | 0.7 |
| Completeness [%] | 75.9 | |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium citrate soak at target pH (9.12). vapor diffusion at 298 K, pH 8.10 |
