4Z76
Weak TCR binding to an unstable insulin epitope drives type 1 diabetes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | .9173 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.990, 62.370, 72.310 |
| Unit cell angles | 69.81, 85.76, 87.05 |
Refinement procedure
| Resolution | 38.268 - 1.880 |
| R-factor | 0.1863 |
| Rwork | 0.184 |
| R-free | 0.22960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.773 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.268 | 38.268 | 1.930 |
| High resolution limit [Å] | 1.880 | 8.410 | 1.880 |
| Rmerge | 0.033 | 0.272 | |
| Rmeas | 0.144 | ||
| Rpim | 0.099 | 0.048 | 0.643 |
| Total number of observations | 122779 | 1514 | 9263 |
| Number of reflections | 57349 | ||
| <I/σ(I)> | 8.6 | 25.6 | 2 |
| Completeness [%] | 89.9 | 97.7 | 89.9 |
| Redundancy | 2.1 | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 291 | G9V crystals were grown in 20% PEG 6000, 0.2 M calcium chloride, 0.1 M Tris propane pH 8.0 |
