2AQ3
Crystal structure of T-cell receptor V beta domain variant complexed with superantigen SEC3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.160, 70.460, 98.370 |
| Unit cell angles | 74.18, 75.76, 88.40 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.209 |
| Rwork | 0.206 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.042 |
| RMSD bond angle | 3.531 |
| 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 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.068 | |
| Number of reflections | 63758 | |
| Completeness [%] | 73.7 | 73.66 |
| Redundancy | 2.4 |
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 |
