5HRN
HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-09 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.670, 72.670, 65.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.120 - 1.750 |
| R-factor | 0.1882 |
| Rwork | 0.187 |
| R-free | 0.22520 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.880 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.443 | |
| Number of reflections | 21401 | |
| <I/σ(I)> | 77.95 | 3.1 |
| Completeness [%] | 98.8 | 98.8 |
| Redundancy | 9.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Apo crystals grown by Kirsten Kahler in 0.1M Ammonium Sulfate, 0.1M Cacodylate pH 6.5, 7.5% Peg8K, 5mM MgCl, 5mM MnCl, and 5mM DTT ligand soaked for 72 hours in well buffer + 30% eg (cryo) + 5% DMSO containing 50mM compound |
