3I7E
Co-crystal structure of HIV-1 protease bound to a mutant resistant inhibitor UIC-98038
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-09-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.850, 59.000, 62.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.396 |
| Number of reflections | 20809 | |
| <I/σ(I)> | 17.8 | 2.84 |
| Completeness [%] | 95.5 | 92.4 |
| Redundancy | 2.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | The reservoir contained 20% (NH4)2SO4, 200 mM NaPO4/citric acid buffer, pH 5.5. The well solutions also included 10% dimethyl sulfoxide, 30 mM -mercaptoethanol, and 4% isopropanol. , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
