8RYM
Structure of S2 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 I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.660, 49.200, 124.670 |
| Unit cell angles | 90.00, 92.93, 90.00 |
Refinement procedure
| Resolution | 41.500 - 2.340 |
| R-factor | 0.24422 |
| Rwork | 0.243 |
| R-free | 0.27213 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.161 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.500 | 2.380 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.078 | 1.201 |
| Rmeas | 0.084 | 1.317 |
| Rpim | 0.031 | 0.530 |
| Number of reflections | 41755 | 2070 |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 7.2 | 6 |
| CC(1/2) | 0.999 | 0.537 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM HEPES pH 7.0, 13 % w/v PEG 8000 |
