3NDT
HIV-1 Protease Saquinavir:Ritonavir 1:1 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 | 51.294, 62.785, 59.171 |
Unit cell angles | 90.00, 98.32, 90.00 |
Refinement procedure
Resolution | 5.000 - 1.720 |
R-factor | 0.1403 |
Rwork | 0.110 |
R-free | 0.22940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k4v |
RMSD bond length | 0.009 |
RMSD bond angle | 0.029 |
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] | 5.000 |
High resolution limit [Å] | 1.720 |
Number of reflections | 24746 |
Completeness [%] | 91.0 |
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 |