1MTB
Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2001-08-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.439, 60.039, 62.021 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.560 - 2.500 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.25700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1f7a |
RMSD bond length | 0.008 |
RMSD bond angle | 26.500 * |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.600 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.080 * | 0.360 * |
Total number of observations | 28072 * | |
Number of reflections | 6743 | 496 * |
<I/σ(I)> | 7 | |
Completeness [%] | 93.4 | 71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.5 (mg/ml) | |
2 | 1 | reservoir | phosphate | 126 (mM) | pH6.2 |
3 | 1 | reservoir | sodium citrate | 63 (mM) | |
4 | 1 | reservoir | ammonium sulfate | 28-31 (%) |