3GI6
Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.803, 58.021, 61.671 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.000 - 1.840 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.19600 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.283 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.840 | 3.990 | 1.840 |
| Rmerge | 0.058 | 0.025 | 0.358 |
| Number of reflections | 15595 | ||
| Completeness [%] | 95.7 | 98.5 | 89.1 |
| Redundancy | 7 | 6.6 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 298 | 126 mM sodium phosphate pH 6.2, 63 mM sodium citrate, 24-29% ammonium sulphate, vapor diffusion, temperature 298K |
