3FX5
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.7085 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.532, 85.955, 46.386 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.200 - 0.930 |
| Rwork | 0.104 |
| R-free | 0.12400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hpx |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.039 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 0.960 |
| High resolution limit [Å] | 0.930 | 0.930 |
| Rmerge | 0.062 | 0.295 |
| Number of reflections | 150216 | |
| <I/σ(I)> | 43.9 | 3.2 |
| Completeness [%] | 97.2 | 91.8 |
| Redundancy | 7.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 293 | 50mM citrate, 50mM Na-phosphate, 0.061M ammonium sulfate, pH 5.0, temperature 293K |
