1AJV
HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 278 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.000, 85.800, 46.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4phv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 25.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.041 | 0.088 |
| Total number of observations | 73708 * | |
| Number of reflections | 14846 | |
| Completeness [%] | 91.7 | 80 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 4 * | drop solution was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protease | 2 (mg/ml) | |
| 2 | 1 | drop | inhibitor | 40 (mM) | in DMSO |
| 3 | 1 | reservoir | MES | 50 (mM) | |
| 4 | 1 | reservoir | 0.4 (M) | ||
| 5 | 1 | reservoir | 0.02 (%(w/v)) |
