1GI2
A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-07-25 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.870, 58.700, 67.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.380 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.900 |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.430 | 1.440 |
| High resolution limit [Å] | 1.320 | 1.380 |
| Rmerge | 0.088 | 0.275 |
| Number of reflections | 36102 | |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 69.7 | 34.1 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (8.1). vapor diffusion at 298 K, pH 8.10 |
