1IZH
Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.452, 85.756, 46.746 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.030 - 1.900 |
| R-factor | 0.18116 |
| Rwork | 0.178 |
| R-free | 0.24080 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5hvp |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.727 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (- FOURIER SYNTHESIS) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.065 | 0.376 |
| Number of reflections | 18388 | |
| <I/σ(I)> | 12.3 | 3 |
| Completeness [%] | 95.9 | 91.3 |
| Redundancy | 4.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 4 * | MES, DTT, EDTA, NaN3, KCl, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MES | 25 (mM) | pH6.0 |
| 2 | 1 | drop | glycerol | 10 (%(v/v)) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | protein | 2-5 (mg/ml) | |
| 6 | 1 | reservoir | 0.7-1.0 (M) | ||
| 7 | 1 | reservoir | MES | 100 (mM) | pH6.0 |
| 8 | 1 | reservoir | 3 (mM) | ||
| 9 | 1 | reservoir | dithiothreitol | 10 (mM) |
