5TYR
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-121
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 | CCD |
| Collection date | 2014-07-17 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.566, 62.566, 82.666 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.317 - 1.800 |
| R-factor | 0.1931 |
| Rwork | 0.191 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hla |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.015 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.090 | 0.550 |
| Number of reflections | 20171 | |
| <I/σ(I)> | 29.05 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M 2-morpholinoethanesulfonic acid (pH 6.5), 25% (w/v) polyethylene glycol 4000, 0.2 M potassium iodide |
