3MLS
Crystal structure of anti-HIV-1 V3 mAb 2557 Fab in complex with a HIV-1 gp120 V3 mimotope
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 | 2009-06-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9809 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.746, 43.051, 274.341 |
| Unit cell angles | 90.00, 94.20, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| Rwork | 0.216 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.391 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 500.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.078 | 0.047 | 0.318 |
| Number of reflections | 63477 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 90.9 | 97.1 | 70.7 |
| Redundancy | 4.1 | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 17% PEG4K, 8.5% 2-Propanol, 85mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
