3RDT
Crystal Structure of 809.B5 TCR complexed with MHC Class II I-Ab/3k peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Detector technology | CCD |
| Collection date | 2010-10-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 239.855, 73.016, 65.669 |
| Unit cell angles | 90.00, 90.71, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c60 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.102 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.084 | 0.540 |
| Number of reflections | 30664 | |
| <I/σ(I)> | 18.6 | 2.77 |
| Completeness [%] | 98.7 | 97.6 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 12% PEG 4000, 100mM sodium citrate, 100mM sodium cacodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
