4FE6
Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-11-12 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 62.654, 62.654, 82.361 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.510 - 2.000 |
| R-factor | 0.1838 |
| Rwork | 0.180 |
| R-free | 0.26080 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.743 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.074 | 0.055 | 0.285 |
| Number of reflections | 6048 | ||
| <I/σ(I)> | 19 | ||
| Completeness [%] | 87.0 | 96.5 | 95.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 0.3M AS, 5% ethanol, 5% methanol 10 mM DTT, pH 5.6, vapor diffusion, hanging drop, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
