5YOJ
Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-22 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.836, 85.828, 46.756 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.850 - 1.500 |
| R-factor | 0.1716 |
| Rwork | 0.171 |
| R-free | 0.18810 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.280 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.900 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.089 | 0.467 |
| Number of reflections | 37951 | 3669 |
| <I/σ(I)> | 27.5 | 2.5 |
| Completeness [%] | 98.1 | 96.9 |
| Redundancy | 4.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 126mM phosphate, 63mM sodium citrate buffer, 20% (w/v) PEG 4000 |
