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 |