5KJR
Crystal structure of the ADCC-potent antibody N60-i3 Fab in complex with HIV-1 Clade A/E gp120 W69A/S115W mutant and M48U1.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.191, 101.944, 108.747 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.980 |
| R-factor | 0.2518 |
| Rwork | 0.249 |
| R-free | 0.30602 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rfo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.981 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.220 | 0.676 |
| Number of reflections | 19540 | |
| <I/σ(I)> | 5.1 | 1.2 |
| Completeness [%] | 87.6 | 67.6 |
| Redundancy | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 10-16% PEG 8000, 0.1 M TRIS-HCL PH 8.5, 65 MM NACL |
