1EC0
HIV-1 protease in complex with the inhibitor bea403
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.130, 86.050, 46.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 1.800* |
| Rwork | 0.191 |
| R-free | 0.22000 * |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.640 | 1.900 |
| High resolution limit [Å] | 1.800 * | 1.800 * |
| Rmerge | 0.126 * | 0.312 * |
| Total number of observations | 52852 * | |
| Number of reflections | 21005 * | |
| <I/σ(I)> | 6 | |
| Completeness [%] | 88.2 * | 84.1 |
| Redundancy | 2.4 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 4 * | 0.4 M Sodium chloride, 0.05 M MES, 0.02 % (W/V) sodium azide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2 (mg/ml) | |
| 2 | 1 | drop | MES | 50 (mM) | pH6.5 |
| 3 | 1 | drop | dithiothreitol | 10 (mM) | |
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | inhibitor | 7 (mM) | |
| 6 | 1 | drop | dimethyl sulfoxide | 10 (%(v/v)) | |
| 7 | 1 | reservoir | MES | 50 (mM) | pH5.5 |
| 8 | 1 | reservoir | 0.5 (M) |
