3MFG
Crystal structure of Toxic Shock Syndrome Toxin 1 (TSST-1) in complex with the human T cell receptor beta chain Vbeta2.1 (EP-8)
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 | 2009-08-27 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 242.620, 242.620, 47.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.580 - 2.370 |
| R-factor | 0.237 |
| Rwork | 0.234 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ij0 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.909 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.582 | 2.500 |
| High resolution limit [Å] | 2.369 | 2.370 |
| Number of reflections | 28994 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 14.9 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.48M Lithium Sulfate, 22% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
