3TL9
crystal structure of HIV protease model precursor/Saquinavir complex
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 | 2011-04-29 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.8 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.414, 86.100, 46.097 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.320 |
R-factor | 0.163 |
Rwork | 0.161 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oxc |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 | 1.370 |
High resolution limit [Å] | 1.320 | 1.660 | 1.320 |
Rmerge | 0.057 | 0.213 | 0.413 |
Number of reflections | 51505 | ||
<I/σ(I)> | 26.1 | ||
Completeness [%] | 91.4 | 100 | 53.2 |
Redundancy | 5.7 | 7 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.4M Sodium Chloride, 0.1M Sodium Cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |