4XBE
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41: crystals cryoprotected with sphingomyelin (02:0 SM (d18:1/2:0)).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2012-04-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97960 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 157.657, 44.515, 85.344 |
| Unit cell angles | 90.00, 113.48, 90.00 |
Refinement procedure
| Resolution | 35.668 - 1.756 |
| R-factor | 0.1527 |
| Rwork | 0.150 |
| R-free | 0.19650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fx7 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.954 |
| Data reduction software | HKL-2000 (0.98.701) |
| Data scaling software | HKL-2000 (0.98.701) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.668 | 1.790 |
| High resolution limit [Å] | 1.756 | 1.756 |
| Rmerge | 0.475 | |
| Number of reflections | 50302 | |
| <I/σ(I)> | 10 | 4.3 |
| Completeness [%] | 92.3 | 96.2 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | The complex grew from 1:1 protein:reservoir solution sitting drops equilibrated against 20% PEG 8000, 0.2 M sodium acetate, pH 5.5, 0.2 M sodium thiocyanate |
