4RVJ
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with amprenavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-03 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.250, 57.310, 86.900 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 27.496 - 1.600 |
| R-factor | 0.1724 |
| Rwork | 0.171 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.987 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.970 |
| High resolution limit [Å] | 1.540 |
| Rmerge | 0.107 |
| Number of reflections | 65689 |
| <I/σ(I)> | 7.7 |
| Completeness [%] | 100.0 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.6 M Ammonium sulfate + 0.1 M Citric acid, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
