4LH4
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9191 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.527, 72.527, 64.919 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.270 - 1.800 |
| R-factor | 0.20222 |
| Rwork | 0.200 |
| R-free | 0.24682 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bhl |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.354 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.270 | 1.960 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.039 | 0.141 |
| Number of reflections | 16757 | |
| <I/σ(I)> | 6.76 | |
| Completeness [%] | 88.7 | 65 |
| Redundancy | 5.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 1.16-1.36 M ammonium sulfate, 50 mM sodium cacodylate-HCl pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
