8CBU
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884
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 | 2022-04-05 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.847, 63.559, 69.596 |
Unit cell angles | 90.00, 100.72, 90.00 |
Refinement procedure
Resolution | 51.920 - 2.440 |
R-factor | 0.2043 |
Rwork | 0.202 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.471 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.920 | 2.480 |
High resolution limit [Å] | 2.440 | 2.440 |
Rpim | 0.025 | 0.077 |
Number of reflections | 17040 | 852 |
<I/σ(I)> | 17.9 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.43 | 11.27 |
CC(1/2) | 0.999 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES |