4M8X
GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 61 |
| Unit cell lengths | 61.756, 61.756, 83.352 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.450 - 2.050 |
| R-factor | 0.20339 |
| Rwork | 0.201 |
| R-free | 0.26576 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rkf |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.695 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.050 |
| Number of reflections | 10764 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292.15 | 0.5 M ammonium sulphate and 0.1 M sodium acetate pH 5.25-5.5, VAPOR DIFFUSION, HANGING DROP, temperature 292.15K |
