3C6L
Crystal structure of mouse MHC class II I-Ab/3K peptide complexed with mouse TCR 2W20
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.540, 113.930, 386.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.070 - 3.400 |
| Rwork | 0.268 |
| R-free | 0.32500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.131 | 0.769 |
| Number of reflections | 28945 | |
| <I/σ(I)> | 14.4 | 1.9 |
| Completeness [%] | 97.6 | 89.5 |
| Redundancy | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 16% PEG 4000, 100mM calcium acetate, pH 6.0, Vapor diffusion, hanging drop, temperature 298K |
