2QAD
Structure of tyrosine-sulfated 412d antibody complexed with HIV-1 YU2 gp120 and CD4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.600, 53.021, 225.326 |
| Unit cell angles | 90.00, 104.64, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.300 |
| Rwork | 0.202 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | YU2core/CD4 d1d2 from PDB entry 1RZK and 412d Fab from PDB entry 1RZG |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.092 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.133 | 0.537 |
| Number of reflections | 25816 | |
| <I/σ(I)> | 9.1 | 1.3 |
| Completeness [%] | 67.8 | 16.2 |
| Redundancy | 3.1 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 17-19% polyethylene glycol (PEG) 1500, 0.1 M Na cacodylate pH 6.5, 0.2 M Na malonate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
