3SO9
Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Detector technology | CCD |
| Collection date | 2010-10-09 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.901, 66.376, 90.839 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.870 |
| R-factor | 0.21841 |
| Rwork | 0.216 |
| R-free | 0.25624 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.027 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.950 |
| High resolution limit [Å] | 2.870 | 7.830 | 2.870 |
| Number of reflections | 10380 | ||
| Completeness [%] | 98.4 | 95.4 | 100 |
| Redundancy | 3.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1M MES and 2.4M ammonium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
