1K6P
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-02-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.020, 58.950, 61.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.000 - 2.200 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.23000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | UNPUBLISHED |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 27.000 |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.082 |
| Total number of observations | 31972 * |
| Number of reflections | 9067 * |
| <I/σ(I)> | 6.2 |
| Completeness [%] | 91.4 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 * | 298 | SODIUM PHOSPHATE, SODIUM CITRATE, AMMONIUM SULPHATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protease | 2 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 0.05 (M) | pH5.5 |
| 3 | 1 | drop | ethylene glycol | 5 (%) | |
| 4 | 1 | drop | glycerol | 10 (%) | |
| 5 | 1 | drop | dithiothreitol | 5 (mM) | |
| 6 | 1 | reservoir | phosphate | 126 (mM) | pH6.2 |
| 7 | 1 | reservoir | sodium citrate | 63 (mM) | |
| 8 | 1 | reservoir | ammonium sulfate | 27-33 (%) |
