6IXD
X-ray crystal structure of bPI-11 hiv-1 protease complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-05-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.302, 86.010, 46.549 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.005 - 1.000 |
| R-factor | 0.1325 |
| Rwork | 0.132 |
| R-free | 0.15010 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3fx5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.337 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.600 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.043 | 0.293 |
| Number of reflections | 126583 | 12353 |
| <I/σ(I)> | 29.3 | 2.8 |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 6.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 50mM sodium acetate buffer (pH 5.0), 20% saturated ammonium sulfate |
