4M1D
Crystal structure of anti-HIV-1 Fab 447-52D in complex with V3 cyclic peptide MN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-28 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.836, 59.781, 137.066 |
| Unit cell angles | 90.00, 127.35, 90.00 |
Refinement procedure
| Resolution | 45.341 - 1.800 |
| R-factor | 0.1875 |
| Rwork | 0.186 |
| R-free | 0.21620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.161 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.630 | 4.420 | 1.630 |
| Number of reflections | 134437 | ||
| Completeness [%] | 93.9 | 98.4 | 49.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 296 | pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
