5KRS
HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-05 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.917 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.908, 71.908, 67.684 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.954 - 1.700 |
| R-factor | 0.1693 |
| Rwork | 0.168 |
| R-free | 0.18560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.185 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.8.2-1309) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.954 |
| High resolution limit [Å] | 1.700 |
| Number of reflections | 42447 |
| <I/σ(I)> | 16.77 |
| Completeness [%] | 98.5 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1 mM manganese chloride, 100 mM MES pH 6.7, 10% (w/v) PEG 8000, and 5 mM DTT |
