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 |