4HDF
Crystal Structure of HIV-1 protease mutants V82A complexed with inhibitor GRL-0519
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.613, 86.148, 46.333 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.290 |
| R-factor | 0.1625 |
| Rwork | 0.157 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2idw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.340 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.407 | |
| Number of reflections | 59015 | |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 99.0 | 92.7 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 10% Ammonium Sulfate, 0.05M Citrate-Phosphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
