4RVX
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL079
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.789, 89.008, 56.513 |
| Unit cell angles | 90.00, 112.98, 90.00 |
Refinement procedure
| Resolution | 33.101 - 1.955 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.202 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.950 |
| Rmerge | 0.076 |
| Number of reflections | 25824 |
| <I/σ(I)> | 11.06 |
| Completeness [%] | 73.1 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 2 M Sodium chloride in 0.1 M citric acid, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
