4Z77
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 21 1 |
| Unit cell lengths | 66.150, 84.530, 72.860 |
| Unit cell angles | 90.00, 106.86, 90.00 |
Refinement procedure
| Resolution | 37.099 - 1.850 |
| R-factor | 0.2085 |
| Rwork | 0.206 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.856 |
| Data reduction software | xia2 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.099 | 37.099 | 1.900 |
| High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
| Rmerge | 0.024 | 2.075 | |
| Rmeas | 0.298 | ||
| Rpim | 0.151 | 0.017 | 1.476 |
| Total number of observations | 237464 | 2680 | 18522 |
| Number of reflections | 64020 | ||
| <I/σ(I)> | 11.7 | 47.5 | 2.2 |
| Completeness [%] | 97.8 | 94.3 | 98.8 |
| Redundancy | 3.7 | 3.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 20% PEG 6000, 0.2 M calcium chloride, 0.1 M Tris propane pH 8.0 |
