3OY4
Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-07-09 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.719, 57.714, 62.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.250 - 1.760 |
R-factor | 0.18026 |
Rwork | 0.178 |
R-free | 0.21902 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.294 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
Rmerge | 0.085 | 0.055 | 0.388 |
Number of reflections | 18412 | ||
<I/σ(I)> | 9.2 | ||
Completeness [%] | 98.0 | 99.3 | 94.8 |
Redundancy | 7.2 | 7.4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K |