3GHB
Crystal structure of anti-HIV-1 Fab 447-52D in complex with V3 peptide W2RW020
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-17 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.273, 76.214, 113.915 |
| Unit cell angles | 90.00, 101.25, 90.00 |
Refinement procedure
| Resolution | 49.260 - 2.250 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1j |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.370 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.260 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.088 | 0.485 |
| Number of reflections | 54517 | |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 7.6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 296.15 | 1.48M Ammonium Sulfate, 0.1M Tris pH 7.5, vapor diffusion, hanging drop, temperature 296.15K |
