4M8Y
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 | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 |
| Unit cell lengths | 61.905, 61.905, 83.178 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.860 - 2.220 |
| R-factor | 0.20107 |
| Rwork | 0.198 |
| R-free | 0.26783 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rkg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.508 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.220 |
| Number of reflections | 8455 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292.15 | 0.5 ammonium sulphate and 0.1 M MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.15K |
