4HE9
Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519
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 | 2010-08-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.776, 85.842, 46.017 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.060 |
| R-factor | 0.15 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f8g |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.038 |
| 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 | 1.100 |
| High resolution limit [Å] | 1.060 | 1.060 |
| Rmerge | 0.568 | |
| Number of reflections | 103379 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 97.4 | 85.6 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.6-0.93 M NaCl, 0.06 M Sodium Acetate, pH 4.6-5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
