2O4P
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Tipranavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-02-27 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.611, 86.258, 45.888 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.510 - 1.800 |
R-factor | 0.20303 |
Rwork | 0.200 |
R-free | 0.23306 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.532 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.510 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.090 | 0.550 |
Number of reflections | 21285 | |
<I/σ(I)> | 8.3 | 1.42 |
Completeness [%] | 95.6 | 90.2 |
Redundancy | 4.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298K |