8F22
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-01 |
| Detector | DECTRIS PILATUS3 R 200K-A |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.951, 91.186, 116.266 |
| Unit cell angles | 87.17, 78.77, 60.37 |
Refinement procedure
| Resolution | 15.890 - 2.500 |
| R-factor | 0.3116 |
| Rwork | 0.310 |
| R-free | 0.34670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h47 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.821 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.890 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 106374 | 10896 |
| <I/σ(I)> | 4.3 | 2.3 |
| Completeness [%] | 96.6 | 99 |
| Redundancy | 8.8 | 7.5 |
| CC(1/2) | 0.970 | 0.180 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291.15 | 0.2 M Calcium acetate hydrate, 100 mM sodium cacodylate pH 6.5, 40% w/v PEG300, 0.500 mM 11l, and previous crystal seed solution. |
