4QJ2
Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with WT p1-p6 substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-18 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.185, 63.341, 58.769 |
| Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
| Resolution | 24.980 - 2.130 |
| R-factor | 0.18626 |
| Rwork | 0.183 |
| R-free | 0.23841 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.463 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.220 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Number of reflections | 20171 | |
| <I/σ(I)> | 27.39 | 8.46 |
| Completeness [%] | 94.5 | 92.3 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | ammonium sulfate, sodium citrate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
