4I8W
Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL007
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-18 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.130, 62.130, 82.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.060 - 1.960 |
| R-factor | 0.19513 |
| Rwork | 0.193 |
| R-free | 0.23283 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.691 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 32.690 |
| High resolution limit [Å] | 1.950 |
| Rmerge | 0.110 |
| Number of reflections | 12128 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 1.6 M ammonium sulfate (precipitant) in 0.1 M BICINE buffer, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
