6D0E
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-084-13
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 | 2014-07-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.686, 62.686, 82.181 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.343 - 1.950 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hla |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.087 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.800 | 1.940 |
| Rmerge | 0.093 | 0.302 |
| Number of reflections | 13641 | 842 |
| <I/σ(I)> | 26.37 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M Tris pH8.0, 20% (weight/volume) polyethylene glycol 4000, 0.2 M sodium chloride |
