2FX9
Crystal structure of hiv-1 neutralizing human fab 4e10 in complex with a thioether-linked peptide encompassing the 4e10 epitope on gp41
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-05 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.425, 111.498, 79.379 |
| Unit cell angles | 90.00, 106.44, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| Rwork | 0.236 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PBD ENTRY 1TZG |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 51614 | |
| <I/σ(I)> | 14.1 | 2.7 |
| Completeness [%] | 99.3 | 99 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG 3350, 0.2 M ammonium nitrate, pH no buffer, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
