1FQX
CRYSTAL STRUCTURE OF THE COMPLEX OF HIV-1 PROTEASE WITH A PEPTIDOMIMETIC INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 |
| Unit cell lengths | 63.130, 63.130, 83.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.000 - 3.100 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.080 |
| RMSD bond angle | 1.370 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 3.240 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.177 | 0.460 |
| Total number of observations | 14926 * | |
| Number of reflections | 3263 | |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 94.6 | 96 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 291 | ammonium acetate, sodium Citrate, PEG 4000, pH 5.8. VAPOR DIFFUSION, HANGING DROP at 291 K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protease | 3 (mg/ml) | |
| 2 | 1 | drop | DMSO | 11 (mM) | |
| 3 | 1 | drop | sodium acetate | ||
| 4 | 1 | drop | 2-mercaptoethanol | 0.05 (%) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 7 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 8 | 1 | reservoir | PEG4000 | 30 (%(w/v)) |
