4OJR
Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.664, 72.664, 65.453 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.370 - 1.820 |
| R-factor | 0.1893 |
| Rwork | 0.189 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.199 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.890 |
| High resolution limit [Å] | 1.820 | 3.920 | 1.820 |
| Rmerge | 0.044 | 0.033 | 0.410 |
| Number of reflections | 17966 | ||
| <I/σ(I)> | 18.2 | ||
| Completeness [%] | 98.1 | 96.2 | 98 |
| Redundancy | 8.3 | 7.5 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 7% Peg 8K, 0.2M Ammonium Sulfate, 0.1M sodiium cacodylate pH 6.5, 5mM MgCl2, 5mM MnCl2, 5mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
