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Starting model (for MR) | UNPUBLISHED |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 (%) |