1D4L
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05-08 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.440, 58.770, 61.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.750 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.23100 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.083 | 0.302 |
| Total number of observations | 62454 * | |
| Number of reflections | 18470 * | |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 94.5 | 84.6 |
| Redundancy | 3.38 | 3.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 20 * | inhibitor:protein molar ratio is 10:1 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | inhibitor | in DMSO | |
| 3 | 1 | reservoir | acetate | 0.1 (M) | |
| 4 | 1 | reservoir | ammonium sulfate | 35-60 (%sat) |
