4NJV
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with ritonavir
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 | 2013-03-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.952, 58.219, 86.866 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 34.810 - 1.800 |
| R-factor | 0.1882 |
| Rwork | 0.187 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.279 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.813 | 1.846 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.089 | 0.089 |
| Number of reflections | 40844 | |
| <I/σ(I)> | 18.71 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 3.0 M sodium chloride (precipitant), 0.1 M HEPES (buffer), pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
