4C56
X-ray structure of the complex between staphylococcal enterotoxin B, T cell receptor and major histocompatibility complex class II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.350, 217.650, 101.410 |
| Unit cell angles | 90.00, 99.82, 90.00 |
Refinement procedure
| Resolution | 29.230 - 2.900 |
| R-factor | 0.2338 |
| Rwork | 0.233 |
| R-free | 0.25110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1OGA CHAINS D AND E 2IAL CHAIN A 1SEB CHAINS A B AND C |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.700 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.080 | 0.580 |
| Number of reflections | 61924 | |
| <I/σ(I)> | 13.1 | 2.3 |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 8% PEG 20000, 0.1 M SODIUM CITRATE PH 5.5, 0.09 M MAGNESIUM CHLORIDE |
