1ZSF
Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution
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 | IMAGE PLATE |
| Collection date | 1997-04-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.864, 62.864, 82.375 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 - 1.980 |
| R-factor | 0.2218 |
| Rwork | 0.221 |
| R-free | 0.27580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aaq |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.019 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.060 | 0.260 |
| Number of reflections | 12461 | |
| <I/σ(I)> | 22.6 | 2.8 |
| Completeness [%] | 95.3 | 85 |
| Redundancy | 3.4 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.3 | 280 | 0.5 M ammonium phosphate, 0.1 M sodium citrate, pH 4.3, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
