3NDU
HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.2 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.190, 62.705, 59.296 |
| Unit cell angles | 90.00, 98.32, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.250 |
| R-factor | 0.1356 |
| Rwork | 0.130 |
| R-free | 0.19360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k4v |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.032 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 1.250 |
| Number of reflections | 70768 |
| Completeness [%] | 93.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | AMMONIUM SULFATE, DMSO, SODIUM CITRATE, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
