5F96
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.12 in complex with HIV-1 clade A/E 93TH057 gp120
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 | 2015-08-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.659, 69.869, 127.272 |
| Unit cell angles | 90.00, 94.61, 90.00 |
Refinement procedure
| Resolution | 34.549 - 2.241 |
| R-factor | 0.1922 |
| Rwork | 0.190 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CH235-gp120 complex |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.909 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.123 | 0.416 |
| Number of reflections | 43941 | |
| <I/σ(I)> | 15.5 | 2.11 |
| Completeness [%] | 97.6 | 86.7 |
| Redundancy | 3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 5.5 % PEG 8000, 27% PEG 400, 0.1M HEPES, pH 7.5 |
