3S45
wild-type HIV-2 protease with antiviral drug amprenavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-15 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.8 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.998, 30.986, 56.161 |
| Unit cell angles | 90.00, 91.66, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.510 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ebz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.026 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.560 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.081 | 0.255 |
| Number of reflections | 25917 | |
| <I/σ(I)> | 12.8 | 2.9 |
| Completeness [%] | 90.3 | 63.3 |
| Redundancy | 3.2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 1.5 M NaCl, 0.6 M imidazole/0.12 M Zinc Acetate Buffer at pH 6.0. 30% glycerol as cryoprotector, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
