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 |