8RYO
Structure of S2-198 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide
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 | 2021-05-14 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.133, 48.854, 124.210 |
| Unit cell angles | 90.00, 92.84, 90.00 |
Refinement procedure
| Resolution | 68.820 - 2.050 |
| R-factor | 0.2207 |
| Rwork | 0.219 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.183 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.820 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.107 | 1.131 |
| Rmeas | 0.115 | 1.222 |
| Rpim | 0.043 | 0.460 |
| Number of reflections | 60565 | 2951 |
| <I/σ(I)> | 12.3 | 0.9 |
| Completeness [%] | 99.4 | 97.55 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.998 | 0.705 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM MOPS pH 6.7, 14 % w/v PEG 8000 |
