6OGV
X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in apo state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL24XU |
| Synchrotron site | SPring-8 |
| Beamline | BL24XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-01-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 46.621, 46.621, 100.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.300 - 1.570 |
| R-factor | 0.24715 |
| Rwork | 0.247 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tyr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.968 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Number of reflections | 226449 | 16152 |
| <I/σ(I)> | 12.62 | |
| Completeness [%] | 99.6 | |
| Redundancy | 14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.15 M Ammonium sulfate, 0.1 M HEPES (pH 7.0), 20% (w/v) PEG4000 |
