3QIW
Crystal structure of the 226 TCR in complex with MCC-p5E/I-Ek
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-30 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.179, 71.624, 105.659 |
| Unit cell angles | 90.00, 90.27, 90.00 |
Refinement procedure
| Resolution | 36.690 - 3.300 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qiu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.757 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.102 | 0.345 |
| Number of reflections | 16259 | |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 98.4 | 99.4 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 295 | 15-20% PEG5000 MME, Bis tris, VAPOR DIFFUSION, temperature 295K, pH 6.5 |
