3GO1
Crystal structure of anti-HIV-1 Fab 268-D in complex with V3 peptide MN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.377, 69.260, 71.693 |
| Unit cell angles | 90.00, 107.24, 90.00 |
Refinement procedure
| Resolution | 27.100 - 1.890 |
| R-factor | 0.19222 |
| Rwork | 0.191 |
| R-free | 0.21261 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u6a |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.967 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0091) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.600 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.212 | 0.495 |
| Number of reflections | 34455 | |
| <I/σ(I)> | 0.742 | |
| Completeness [%] | 84.6 | 19.4 |
| Redundancy | 3.6 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296.15 | 30% PEG 8000, 0.2M Ammonium Acetate, 0.1M Sodium Cacodylate pH 6.5, vapor diffusion, hanging drop, temperature 296.15K |
