2O4S
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Lopinavir
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 | 2004-02-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.707, 85.417, 46.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.700 - 1.540 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.700 | 1.577 |
| High resolution limit [Å] | 1.540 | 1.537 |
| Rmerge | 0.093 | 0.702 |
| Number of reflections | 35654 | |
| <I/σ(I)> | 13.6 | 3.04 |
| Completeness [%] | 99.3 | 91.54 |
| Redundancy | 5.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.5 M NaCl, 100 mM citrate buffer pH 5.4-5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
