7UE1
HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 111.368, 111.368, 137.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.490 - 3.000 |
| R-factor | 0.2274 |
| Rwork | 0.223 |
| R-free | 0.31740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l3u |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.490 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.132 | 1.307 |
| Number of reflections | 8978 | 875 |
| <I/σ(I)> | 15.86 | 1.11 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14.07 | 13.52 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Tris-HCl pH 8.5, 2% polyethylene glycol (PEG) 400, and 2 M Li2SO4 |
