6PJL
HIV-1 Protease NL4-3 WT in Complex with LR3-95
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 21 21 21 |
| Unit cell lengths | 51.455, 58.187, 61.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.519 - 1.993 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dgx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.029 |
| Data scaling software | HKL-2000 (v717) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.147 |
| High resolution limit [Å] | 1.990 | 1.993 |
| Number of reflections | 12967 | 2475 |
| <I/σ(I)> | 17.5 | |
| Completeness [%] | 98.9 | |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23-27% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |
