7MAS
Drug Resistant HIV-1 Protease (L10F, M46I, I50V, F53L, L63P, G73S) in Complex with DRV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.07812 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.739, 36.280, 103.508 |
| Unit cell angles | 90.00, 98.66, 90.00 |
Refinement procedure
| Resolution | 46.335 - 1.500 |
| R-factor | 0.2026 |
| Rwork | 0.202 |
| R-free | 0.22540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dgx |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.184 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.335 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.049 | 0.521 |
| Number of reflections | 66102 | 6433 |
| <I/σ(I)> | 7.8 | 1.1 |
| Completeness [%] | 98.1 | 96.6 |
| Redundancy | 1.8 | 1.6 |
| CC(1/2) | 0.996 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3.3-3.5 M NaCl, 0.1 M Tris-HCl pH 8.5 |
