5KRT
HIV-1 Integrase Catalytic Core Domain (CCD) in Complex with a Fragment-Derived Allosteric Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.917 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.069, 72.069, 66.348 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.239 - 1.651 |
| R-factor | 0.1856 |
| Rwork | 0.185 |
| R-free | 0.19520 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.329 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX (1.8.2-1309) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.650 |
| Number of reflections | 24271 |
| <I/σ(I)> | 29.55 |
| Completeness [%] | 99.5 |
| Redundancy | 7.3 |
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 |
