3NLS
Crystal Structure of HIV-1 Protease in Complex with KNI-10772
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2010-02-12 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.896, 85.389, 46.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.950 - 1.700 |
| R-factor | 0.18145 |
| Rwork | 0.179 |
| R-free | 0.21813 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.431 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.077 | 0.052 | 0.388 |
| Number of reflections | 25899 | ||
| <I/σ(I)> | 11.4 | ||
| Completeness [%] | 98.9 | 99.5 | 93.8 |
| Redundancy | 4.2 | 6.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 100 mM Na Acetate, 500 MM NaCl, 10 mM DTT, 3 mM NaN3, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
