8CBT
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872
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 | 53.306, 64.470, 70.702 |
Unit cell angles | 90.00, 101.66, 90.00 |
Refinement procedure
Resolution | 52.210 - 2.140 |
R-factor | 0.2096 |
Rwork | 0.207 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.402 |
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] | 64.470 | 2.180 |
High resolution limit [Å] | 2.140 | 2.140 |
Rpim | 0.027 | 0.320 |
Number of reflections | 26052 | 1265 |
<I/σ(I)> | 13.6 | 0.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 36.95 | 27.51 |
CC(1/2) | 0.998 | 0.931 |
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 |