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 |