1HPX
HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272
Experimental procedure
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.900, 59.100, 62.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.000 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 3.000 |
| Data reduction software | MSI |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 7.000 * |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.065 |
| Total number of observations | 34769 * |
| Number of reflections | 9665 |
| Completeness [%] | 86.0 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | recombinant HIV PR | 4.1 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 50 (mM) | |
| 3 | 1 | drop | dithiothreitol | 10 (mM) | |
| 4 | 1 | drop | inhibitor | 1:5 molar ratio | |
| 5 | 1 | reservoir | ammonium sulfate | 35 (%(w/v)sat) | |
| 6 | 1 | reservoir | citric acid | 65 (mM) | |
| 7 | 1 | reservoir | sodium phosphate | 130 (mM) |
