8YE4
The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-27 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.002, 148.096, 196.213 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.980 - 3.200 |
| R-factor | 0.2681 |
| Rwork | 0.266 |
| R-free | 0.30980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond angle | 13.872 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.370 | 3.360 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 34048 | 4447 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7 | |
| CC(1/2) | 0.991 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 287 | 8% Tacsimate 7.0, 20% PEG3350 |
