3MLR
Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with a NY5 V3 peptide
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 | 2007-03-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.414, 43.076, 58.212 |
| Unit cell angles | 87.86, 85.50, 85.82 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| Rwork | 0.181 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.421 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.053 | 0.039 | 0.131 |
| Number of reflections | 37562 | ||
| <I/σ(I)> | 19.5 | ||
| Completeness [%] | 97.6 | 99.2 | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 296 | 25% PEG 3350, 0.2 M NH4 acetate, 0.1 M Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
