2AOF
Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P1-P6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2002-06-02 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.457, 85.851, 46.394 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.320 |
| Rwork | 0.131 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aoh |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.370 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.084 | 0.550 |
| Number of reflections | 55317 | |
| <I/σ(I)> | 3 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | SODIUM CHLORIDE 0.8M, DMSO 5%,SODIUM ACETATE BUFFER, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
