1K6C
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 | 1999-02-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.450, 59.400, 61.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.000 - 2.200 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.23100 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1hsg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| 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 | 0.068 |
| Total number of observations | 63726 * |
| Number of reflections | 10006 |
| Completeness [%] | 99.2 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 * | 298 | SODIUM PHOSPHATE, SODIUM CITRATE, AMMONIUM SULFATE, 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 (%) |
