5OI2
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 | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.194, 72.194, 65.935 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.370 - 2.200 |
| R-factor | 0.1765 |
| Rwork | 0.174 |
| R-free | 0.21999 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lh4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.098 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 45.370 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 19478 |
| <I/σ(I)> | 19.5 |
| Completeness [%] | 99.6 |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | Ammonium sulfate, cacodylate |
