8CT7
Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.486, 72.486, 66.454 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.380 - 2.130 |
| R-factor | 0.20017 |
| Rwork | 0.197 |
| R-free | 0.22485 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l3u |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.17.1.3660) |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.380 | 2.206 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.017 | 0.160 |
| Rmeas | 0.024 | 0.024 |
| Rpim | 0.017 | 0.017 |
| Number of reflections | 11625 | 1133 |
| <I/σ(I)> | 29.5 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 2 | 2 |
| CC(1/2) | 1.000 | 0.927 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 7% PEG 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5, 5 mM manganese chloride, 5 mM magnesium chloride, and 5 mM DTT |
