4HLA
Crystal structure of wild type HIV-1 protease in complex with darunavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2012-09-25 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.150, 62.150, 82.191 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.790 - 1.950 |
| R-factor | 0.19354 |
| Rwork | 0.192 |
| R-free | 0.22779 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.456 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.070 |
| High resolution limit [Å] | 1.950 |
| Rmerge | 0.069 |
| Number of reflections | 13144 |
| Redundancy | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 1.6 M Ammonium sulfate, 0.1 M MES monohydrate (pH 6.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
