5FK9
Crystal structure of staphylococcal enterotoxin A F47A mutant in complex with a T cell receptor
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 | 2012-10-06 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 114.340, 150.440, 39.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.920 - 3.100 |
R-factor | 0.2587 |
Rwork | 0.257 |
R-free | 0.29080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 1ESF 4udt |
RMSD bond length | 0.007 |
RMSD bond angle | 0.880 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.920 | 3.260 |
High resolution limit [Å] | 3.090 | 3.090 |
Rmerge | 0.120 | 0.720 |
Number of reflections | 12028 | |
<I/σ(I)> | 14.4 | 2.8 |
Completeness [%] | 92.4 | 90.9 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 24% W/V PEG 2000 MME, 0.1 M AMMONIUM CHLORIDE PH 8.5, 0.05 M NACL |