4UDU
Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor
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 | 2012-10-06 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.134, 78.544, 180.805 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.330 - 2.500 |
| R-factor | 0.2467 |
| Rwork | 0.246 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SUPERANTIGEN FROM PDB ENTRY 1ESF AND TCR FROM PDB ENTRY 4UDT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.5.2) |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.810 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.770 |
| Number of reflections | 31731 | |
| <I/σ(I)> | 10.6 | 2 |
| Completeness [%] | 99.5 | 98.2 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 15% W/V PEG 20000, 0.1 M GLYCINE PH 9.0, 0.1 M NACL |
