3FN0
Crystal structure of HIV-1 neutralizing human Fab Z13e1 in complex with a 12-residue peptide containing the Z13e1 epitope on gp41
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.99996 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.940, 106.940, 88.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.660 - 1.800 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.25230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nxy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | EPMR |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 48156 | |
| <I/σ(I)> | 33.1 | 6.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14.3 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 21% PEG 3350, 0.2M potassium fluoride, 0.1M sodium chloride, 10mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
