1O2V
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 RUH3R |
| Temperature [K] | 285 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-03-25 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.660, 63.020, 69.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.500 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.23100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.020 |
| RMSD bond angle | 3.900 |
| 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] | 46.920 | 1.570 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.111 | 0.441 |
| Number of reflections | 43228 | |
| <I/σ(I)> | 5.5 | 0.7 |
| Completeness [%] | 95.2 | |
| Redundancy | 3.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (6.36). vapor diffusion at 298 K, pH 8.10 |
