3OY4
Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.719, 57.714, 62.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.250 - 1.760 |
| R-factor | 0.18026 |
| Rwork | 0.178 |
| R-free | 0.21902 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.294 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
| Rmerge | 0.085 | 0.055 | 0.388 |
| Number of reflections | 18412 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 98.0 | 99.3 | 94.8 |
| Redundancy | 7.2 | 7.4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
