8RYP
Structure of S8 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 | 2018-08-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 208.120, 45.710, 121.680 |
| Unit cell angles | 90.00, 94.93, 90.00 |
Refinement procedure
| Resolution | 121.230 - 1.810 |
| R-factor | 0.22186 |
| Rwork | 0.221 |
| R-free | 0.24099 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.168 |
| 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] | 121.230 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.061 | 1.182 |
| Rmeas | 0.066 | 1.297 |
| Rpim | 0.024 | 0.526 |
| Number of reflections | 104807 | 5220 |
| <I/σ(I)> | 14.6 | 1.2 |
| Completeness [%] | 99.9 | 99.98 |
| Redundancy | 7.2 | 6 |
| CC(1/2) | 0.999 | 0.604 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM Magnesium acetate, 20 mM MOPS pH 7.2, 50 mM Sodium chloride, 12 % w/v PEG 8000 |
