1EC2
HIV-1 protease in complex with the inhibitor BEA428
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 | 58.480, 86.670, 46.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.700 * - 2.000 |
| Rwork | 0.209 |
| R-free | 0.23900 * |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 25.400 * |
| 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] | 24.760 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.116 * | 0.390 |
| Total number of observations | 44926 * | |
| Number of reflections | 15612 * | |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 92.9 * | 90.1 |
| Redundancy | 3.02 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 4 * | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.0 (mg/ml) | |
| 2 | 1 | drop | MES | 50 (mM) | pH6.5 |
| 3 | 1 | drop | dithiothreitol | 10 (mM) | |
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | reservoir | MES | 50 (mM) | pH5.5 |
| 6 | 1 | reservoir | 0.5 (M) |
