9SOL
Structure of TCR-581 in complex with Peptide-HLA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-08-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 237.232, 238.081, 175.587 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 168.050 - 2.930 |
| R-factor | 0.23378 |
| Rwork | 0.232 |
| R-free | 0.26999 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 168.050 | 2.980 |
| High resolution limit [Å] | 2.930 | 2.930 |
| Rmeas | 0.223 | 4.334 |
| Number of reflections | 106930 | 5274 |
| <I/σ(I)> | 8 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.1 | 14.5 |
| CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium citrate tribasic dihydrate, 0.1 M Bis-Tris propane pH 7.5 and 20 % (w/v) PEG 3350 |
