8RYQ
Structure of S8-9F3 TCR in complex with HLA-A*11:01 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 | 2020-12-10 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.020, 88.890, 121.860 |
| Unit cell angles | 90.90, 98.54, 97.72 |
Refinement procedure
| Resolution | 45.070 - 2.490 |
| R-factor | 0.24651 |
| Rwork | 0.245 |
| R-free | 0.28286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.197 |
| 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] | 45.070 | 2.530 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.077 | 1.734 |
| Rmeas | 0.089 | 2.000 |
| Rpim | 0.044 | 0.987 |
| Number of reflections | 65184 | 3303 |
| <I/σ(I)> | 9.3 | 0.7 |
| Completeness [%] | 98.4 | 97.9 |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.998 | 0.279 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 150 mM Magnesium acetate, 20 mM MOPS pH 7.2, 12 % w/v PEG 8000 |
