43RH
Crystal structure of TCR C3K in complex with H2-Q9/VP2.139
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX3 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-03-03 |
| Detector | STFC Large Pixel Detector |
| Wavelength(s) | 0.95373 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 275.695, 66.810, 90.596 |
| Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
| Resolution | 29.840 - 3.330 |
| R-factor | 0.2227 |
| Rwork | 0.218 |
| R-free | 0.26680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.553 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.990 | 3.600 |
| High resolution limit [Å] | 3.330 | 3.330 |
| Rmerge | 0.132 | 0.584 |
| Rmeas | 0.172 | 0.763 |
| Rpim | 0.082 | 0.484 |
| Number of reflections | 23857 | 4850 |
| <I/σ(I)> | 8 | 2.3 |
| Completeness [%] | 98.9 | 99 |
| Redundancy | 4.4 | 4.3 |
| CC(1/2) | 0.991 | 0.771 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293.15 | 0.2 M ammonium sulfate, 0.1 M Na3 Cit pH 5.6, 16 % (w/v) PEG 3350 |
