1GI7
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 | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-25 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 82.350, 49.790, 66.120 |
| Unit cell angles | 90.00, 113.23, 90.00 |
Refinement procedure
| Resolution | 7.500 - 1.790 |
| R-factor | 0.185 * |
| Rwork | 0.185 |
| R-free | 0.22000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 4.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.950 | 1.870 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.098 | |
| Total number of observations | 35745 * | |
| Number of reflections | 21259 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 90.2 | 40.1 |
| Redundancy | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 298 | 2-propanol PEG 4000, pH 6.5, vapor diffusion at 298 K, pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.10 (M) | pH7.5 or 8.2 |
| 3 | 1 | reservoir | 0.30 (M) | ||
| 4 | 1 | reservoir | PEG5000 MME | 22 (%(v/v)) |
