4XC1
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 GP41: crystals cryoprotected with sn-Glycerol 3-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-06-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.314, 44.739, 86.143 |
| Unit cell angles | 90.00, 113.04, 90.00 |
Refinement procedure
| Resolution | 42.490 - 1.630 |
| R-factor | 0.1453 |
| Rwork | 0.143 |
| R-free | 0.18920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fx7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.072 |
| Data reduction software | HKL-2000 (0.98.701) |
| Data scaling software | HKL-2000 (0.98.701) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.490 | 1.670 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.564 | |
| Number of reflections | 68582 | |
| <I/σ(I)> | 10.3 | 2.3 |
| Completeness [%] | 98.7 | 99.8 |
| Redundancy | 3.8 | 3.7 |
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 |
