2FLE
Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.195, 62.195, 82.752 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.770 - 1.900 |
| R-factor | 0.207 |
| Rwork | 0.199 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hxw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.075 | 0.486 |
| Number of reflections | 14371 | |
| <I/σ(I)> | 22.6 | 2.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1 M Sodium Cacodylate pH 6.5, 0.2 M Magnesium Acetate tetrahydrate, 20% Polyethylene Glycol 8000. (Hampton Research Crystal Screen Solution #18), VAPOR DIFFUSION, temperature 298K |
