2AQ1
Crystal structure of T-cell receptor V beta domain variant complexed with superantigen SEC3 mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Wavelength(s) | 1.0722 |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.200, 70.186, 98.403 |
| Unit cell angles | 74.79, 75.05, 88.54 |
Refinement procedure
| Resolution | 35.000 - 2.100 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.016 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.034 | 0.222 |
| Number of reflections | 81743 | |
| Completeness [%] | 89.8 | 79.9 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG 3350, 0.2M tri-ammonium citrate, 0.3% dioxane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
