4I4W
Peptide length determines the outcome of T cell receptor/peptide-MHCI engagement
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.200, 74.870, 125.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.160 - 1.770 |
| R-factor | 0.18036 |
| Rwork | 0.178 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.031 |
| Data reduction software | xia2 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 1.820 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.718 | |
| Number of reflections | 46011 | |
| <I/σ(I)> | 10.5 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 291 | 0.2M Ammonium sulphate, 22.5% PEG 8K, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, temperature 291K |
