9WFS
Crystal structure of 3-2E TCR in complex with HLA-A*11:01 bound to A0PXA8 peptide(ITGAVGIAK)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-15 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 119.095, 119.095, 313.054 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.120 - 3.000 |
| R-factor | 0.2425 |
| Rwork | 0.240 |
| R-free | 0.29740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.042 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.21-5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.351 | 3.180 |
| High resolution limit [Å] | 2.997 | 3.000 |
| Number of reflections | 49672 | 8074 |
| <I/σ(I)> | 10.66 | 1.64 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 17.7 | |
| CC(1/2) | 0.995 | 0.665 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277 | 0.1M Sodium Cacodylate pH 7.2, 8% w/v gamma-PGA, 14% Polyethylene glycol 4000 |
