3E3Q
Structure of the 3alpham13 high-affinity mutant of the 2C TCR in complex with Ld/QL9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-30 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 158.472, 160.458, 357.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.520 - 2.950 |
| Rwork | 0.250 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oi9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.465 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.130 | 0.656 |
| Number of reflections | 93313 | |
| <I/σ(I)> | 10.3 | 2 |
| Completeness [%] | 97.4 | 97.3 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M ammonium citrate, 20% PEG 3350, 3% trimethyl amine N-oxide dihydrate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
