4YE3
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 with Inhibitor GRL-4410A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-21 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 61 |
| Unit cell lengths | 60.349, 60.349, 85.775 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.350 |
| R-factor | 0.15938 |
| Rwork | 0.157 |
| R-free | 0.20019 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ucb |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.698 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.065 | 0.472 |
| Number of reflections | 38558 | |
| <I/σ(I)> | 24.5 | 2.3 |
| Completeness [%] | 99.1 | |
| Redundancy | 5.9 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.2M Sodium Chloride, 0.1M Sodium Acetate pH 5.5, 0.01M Yittrium Chloride |
