8CBV
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.275, 65.083, 70.588 |
| Unit cell angles | 90.00, 101.64, 90.00 |
Refinement procedure
| Resolution | 38.110 - 1.820 |
| R-factor | 0.1886 |
| Rwork | 0.186 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.835 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_4840) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.080 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rpim | 0.023 | 0.303 |
| Number of reflections | 42542 | 2137 |
| <I/σ(I)> | 19.9 | 0.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 46.32 | 43 |
| CC(1/2) | 0.999 | 0.939 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES |
