7MAR
Drug Resistant HIV-1 Protease (L10F, M46I, I47V, I50V, F53L, L63P, I72V, G73S, V82I, I85V) 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 | 56.692, 36.340, 103.523 |
| Unit cell angles | 90.00, 99.31, 90.00 |
Refinement procedure
| Resolution | 46.030 - 1.700 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.25260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dgx |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.469 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.061 | 1.114 |
| Number of reflections | 48951 | 4261 |
| <I/σ(I)> | 7.4 | 0.9 |
| Completeness [%] | 96.3 | 84.9 |
| Redundancy | 1.9 | 1.7 |
| CC(1/2) | 0.998 | 0.353 |
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 |
