9QWK
Crystal structure of S2c-a5b6 TCR in complex with CD1c
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 | 2024-04-18 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 82.233, 83.652, 180.130 |
| Unit cell angles | 91.85, 95.99, 115.61 |
Refinement procedure
| Resolution | 89.240 - 2.270 |
| R-factor | 0.22653 |
| Rwork | 0.226 |
| R-free | 0.25287 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.630 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.240 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.101 | 1.660 |
| Rmeas | 0.119 | 1.943 |
| Rpim | 0.063 | 1.004 |
| Number of reflections | 194208 | 9525 |
| <I/σ(I)> | 14.6 | 0.8 |
| Completeness [%] | 98.5 | 96.77 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.963 | 0.325 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium thiocyanate and 20 % (w/v) PEG 3350 |
