8CBS
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871
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 | 53.228, 64.853, 70.439 |
Unit cell angles | 90.00, 101.50, 90.00 |
Refinement procedure
Resolution | 52.160 - 1.700 |
R-factor | 0.1682 |
Rwork | 0.167 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.447 |
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] | 52.160 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rpim | 0.012 | 0.242 |
Number of reflections | 51832 | 2574 |
<I/σ(I)> | 26.1 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.12 | 19.79 |
CC(1/2) | 1.000 | 0.905 |
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 |