8CBR
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2
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 | 2022-05-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.221, 65.172, 70.474 |
| Unit cell angles | 90.00, 101.48, 90.00 |
Refinement procedure
| Resolution | 52.160 - 1.800 |
| R-factor | 0.1788 |
| Rwork | 0.177 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.789 |
| 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] | 52.160 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.021 | 0.308 |
| Number of reflections | 43935 | 2208 |
| <I/σ(I)> | 19.3 | 0.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 46.17 | 39.97 |
| CC(1/2) | 0.999 | 0.906 |
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 |
