3S56
HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug saquinavir
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 | CCD |
| Collection date | 2007-11-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.88560 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 29.203, 67.416, 92.751 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.880 |
| R-factor | 0.18783 |
| Rwork | 0.186 |
| R-free | 0.23412 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.388 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.108 | 0.408 |
| Number of reflections | 15191 | |
| <I/σ(I)> | 13.7 | 2.2 |
| Completeness [%] | 98.3 | 87.5 |
| Redundancy | 5.6 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M sodium acetate buffer, 0.4 M potassium chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
