6FY3
Crystal structure of a V2-directed, RV144 vaccine-like antibody from HIV-1 infection, CAP228-3D, bound to a heterologous V2 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 208.360, 43.808, 119.910 |
| Unit cell angles | 90.00, 93.77, 90.00 |
Refinement procedure
| Resolution | 42.867 - 2.600 |
| R-factor | 0.2217 |
| Rwork | 0.220 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hqq |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.596 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13.2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 33817 | |
| <I/σ(I)> | 7.5 | 3.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298.15 | 0.05 M imidazole HCl (pH6.5), 0.05M HEPES NaOH (pH7.5), 20% PEG8000, 5% 2-methyl-2,4-pentanediol (MPD), 0.1 M ammonium sulphate, 5% isopropanol, supplemented up to 25% MPD as a cryoprotectant |
