5YOK
Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657
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 | 2008-07-06 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.250, 85.948, 46.529 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.600 - 0.850 |
| Rwork | 0.103 |
| R-free | 0.12500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.130 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.600 | 0.880 |
| High resolution limit [Å] | 0.850 | 0.850 |
| Rmerge | 0.062 | 0.331 |
| Number of reflections | 200529 | |
| <I/σ(I)> | 50.4 | 3 |
| Completeness [%] | 97.9 | 89.8 |
| Redundancy | 11.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 126mM phosphate buffer at pH 5.0, 63mM sodium citrate |
