6VLH
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.96 |
| Spacegroup name | P 43 |
| Unit cell lengths | 46.306, 46.306, 139.148 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.306 - 2.036 |
| R-factor | 0.2226 |
| Rwork | 0.209 |
| R-free | 0.29810 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.533 |
| Data reduction software | XDS |
| Data scaling software | PHENIX |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998-000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.380 | 2.090 |
| High resolution limit [Å] | 2.036 | 2.036 |
| Rmerge | 0.055 | 0.438 |
| Rmeas | 0.059 | 0.472 |
| Rpim | 0.021 | 0.172 |
| Number of reflections | 18621 | 1287 |
| <I/σ(I)> | 23.8 | 5.2 |
| Completeness [%] | 99.3 | 93 |
| Redundancy | 8 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1.8 M ammonium sulfate, 100 mM potassium iodide |
