1B6J
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 289 |
| Detector technology | IMAGE PLATE |
| Collection date | 1993-12-01 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.230, 58.690, 62.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.850 |
| Rwork | 0.175 |
| R-free | 0.21900 |
| Structure solution method | OTHER |
| Starting model (for MR) | 7hvp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 27.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.066 * | 0.230 * |
| Total number of observations | 84427 * | |
| Number of reflections | 14847 | |
| <I/σ(I)> | 12.5 | 3.9 |
| Completeness [%] | 89.1 * | 50.4 * |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.5 | the enzyme/inhibitor solution was mixed in a 1:1 ratio with precipitant solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | inhibitor | 5-15 (mg/ml) | |
| 3 | 1 | reservoir | ammonium sulfate | 30-60 (%sat) | precipitant |
| 4 | 1 | reservoir | acetate | 0.1 (M) | precipitant |
