7MAP
Drug Resistant HIV-1 Protease (L10I, V32I, L33F, K45I, M46I, I50V, A71V, V82I, I84V) in Complex with DRV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-07-31 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.302, 62.302, 82.368 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.844 - 1.951 |
| R-factor | 0.2196 |
| Rwork | 0.215 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dgx |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.592 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.850 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.065 | 0.494 |
| Number of reflections | 12801 | 1242 |
| <I/σ(I)> | 36.4 | 3 |
| Completeness [%] | 96.3 | 85.3 |
| Redundancy | 10.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23-24% (w/v) Ammonium Sulfate, 0.1 M Bis-Tris-Methane-HCl Buffer pH 5.5 |
