7RTR
YLQ-SG3 TCR in complex with SARS-CoV-2 Spike-derived peptide S269-277 (YLQPRTFLL) presented by HLA-A*02:01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 225.356, 49.622, 91.725 |
| Unit cell angles | 90.00, 91.83, 90.00 |
Refinement procedure
| Resolution | 33.420 - 2.600 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.680 | 48.680 | 2.720 |
| High resolution limit [Å] | 2.600 | 9.010 | 2.600 |
| Rmerge | 0.147 | 0.068 | 0.944 |
| Rmeas | 0.165 | 0.076 | 1.069 |
| Rpim | 0.075 | 0.034 | 0.493 |
| Total number of observations | 140103 | 3495 | 16773 |
| Number of reflections | 31710 | 831 | 3800 |
| <I/σ(I)> | 7 | 13.3 | 2.2 |
| Completeness [%] | 100.0 | 99.5 | 99.9 |
| Redundancy | 4.4 | 4.2 | 4.4 |
| CC(1/2) | 0.992 | 0.994 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350, 0.05 M Zinc Acetate |
