6OYR
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-002
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 62.820, 62.820, 82.354 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.390 - 1.540 |
| R-factor | 0.21784 |
| Rwork | 0.216 |
| R-free | 0.26119 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tyr |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.033 |
| Data reduction software | HKL-2000 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.390 | 1.595 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 14722 | 14710 |
| <I/σ(I)> | 15.72 | |
| Completeness [%] | 99.3 | |
| Redundancy | 18.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 0.15 M Ammonium sulfate, 0.1 M HEPES (pH 7.4), 15% (w/v) PEG4000 |
