5COO
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-085
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-06 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.786, 62.786, 81.879 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.393 - 1.800 |
| R-factor | 0.2317 |
| Rwork | 0.229 |
| R-free | 0.28420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.195 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (10.2.35) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.084 | |
| Number of reflections | 16962 | |
| <I/σ(I)> | 58.14 | |
| Completeness [%] | 99.2 | 84.2 |
| Redundancy | 20.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 298 | 0.6 M sodium/potassium phosphate pH6.1 |
