6OPU
HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-02 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 |
| Unit cell lengths | 61.497, 61.497, 81.319 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.761 - 1.940 |
| R-factor | 0.2093 |
| Rwork | 0.205 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dh0 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.616 |
| Data scaling software | HKL-3000 (v703x) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.138 |
| High resolution limit [Å] | 1.940 | 1.942 |
| Number of reflections | 12722 | 3080 |
| <I/σ(I)> | 48.5 | |
| Completeness [%] | 97.9 | |
| Redundancy | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 19-26% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |
