3C5Z
Crystal structure of mouse MHC class II I-Ab/3K peptide complexed with mouse TCR B3K506
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97243 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.300, 117.800, 136.200 |
| Unit cell angles | 90.00, 99.56, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.550 |
| Rwork | 0.246 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.109 | 0.376 |
| Number of reflections | 57142 | |
| <I/σ(I)> | 14 | 1.8 |
| Completeness [%] | 86.1 | 54 |
| Redundancy | 3.5 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 12% PEG 4000 , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
