2O4L
Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.957, 86.411, 46.186 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.350 - 1.330 |
| R-factor | 0.193 |
| Rwork | 0.190 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1msm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.327 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.350 | 1.380 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.077 | 0.397 |
| Number of reflections | 46728 | |
| <I/σ(I)> | 17.5 | 5.62 |
| Completeness [%] | 85.0 | 88.5 |
| Redundancy | 5.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.75-1.5 M NaCl, 100 mM citrate buffer pH 5.4-6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
