2XNA
Crystal structure of the complex between human T cell receptor and staphylococcal enterotoxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-06 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 182.692, 49.980, 132.834 |
Unit cell angles | 90.00, 131.61, 90.00 |
Refinement procedure
Resolution | 99.330 - 2.100 |
R-factor | 0.22461 |
Rwork | 0.223 |
R-free | 0.26137 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1OGA CHAINS D E AND 1HXY CHAIN D |
RMSD bond length | 0.012 |
RMSD bond angle | 1.293 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.650 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.050 | 0.400 |
Number of reflections | 52446 | |
<I/σ(I)> | 15.2 | 3.4 |
Completeness [%] | 99.4 | 99.1 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 12% W/V PEG 5000 MME, 0.1 M MES PH 6.5, 0.1 M NACL |