5OI8
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-25 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.664, 72.664, 66.174 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.930 - 2.350 |
| R-factor | 0.18711 |
| Rwork | 0.184 |
| R-free | 0.24367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lh4 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 62.930 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 13944 |
| <I/σ(I)> | 28.4 |
| Completeness [%] | 99.0 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | Ammonium sulfate, cacodylate |
