5COP
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097
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 | 2013-01-30 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.663, 62.663, 81.955 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.332 - 2.000 |
| R-factor | 0.2052 |
| Rwork | 0.202 |
| R-free | 0.26740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.190 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.099 | 0.526 |
| Number of reflections | 12252 | |
| <I/σ(I)> | 23.035 | 2.889 |
| Completeness [%] | 98.7 | 99.8 |
| Redundancy | 4.4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M sodium dihydrogen phosphate pH6.5, 12% (weight/volume) polyethylene glycol |
