4P5T
14.C6 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 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.007, 74.142, 259.289 |
| Unit cell angles | 90.00, 92.00, 90.00 |
Refinement procedure
| Resolution | 47.051 - 3.263 |
| R-factor | 0.1888 |
| Rwork | 0.186 |
| R-free | 0.23620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rdt |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.666 |
| Data reduction software | HKL |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.310 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.155 | 0.530 |
| Number of reflections | 39106 | |
| <I/σ(I)> | 12.92 | 3.8 |
| Completeness [%] | 99.1 | 97.9 |
| Redundancy | 6.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100mM sodium cacodylate, 200mM sodium citrate, 10% PEG 4000, 0.5% n-octyl-beta-D-glucoside |
