8TOV
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2023-01-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 1 |
| Unit cell lengths | 91.174, 91.326, 117.518 |
| Unit cell angles | 78.82, 87.20, 60.12 |
Refinement procedure
| Resolution | 15.972 - 2.700 |
| Rwork | 0.220 |
| R-free | 0.26010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.376 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.972 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 87509 | 4500 |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 4.7 | 4.5 |
| CC(1/2) | 0.979 | 0.522 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Morpheus D11 |
