8A1Q
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir)
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 | 2021-12-14 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.262, 69.258, 64.106 |
Unit cell angles | 90.00, 102.38, 90.00 |
Refinement procedure
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.260 | 69.300 | 2.100 |
High resolution limit [Å] | 2.060 | 5.590 | 2.060 |
Rmeas | 0.170 | 0.068 | 4.606 |
Rpim | 0.025 | 0.010 | 0.726 |
Number of reflections | 33086 | 1725 | 1647 |
<I/σ(I)> | 19.4 | 106.9 | 0.4 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 45.99 | ||
CC(1/2) | 1.000 | 1.000 | 0.603 |
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 |