8QFY
Crystal structure of high affinity TCR in complex with pHLA harbouring bacterial peptide
This is a non-PDB format compatible entry.
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 | 2020-09-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 326.828, 79.879, 104.073 |
| Unit cell angles | 90.00, 96.89, 90.00 |
Refinement procedure
| Resolution | 82.900 - 2.330 |
| Rwork | 0.242 |
| R-free | 0.28860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gh1 4ww2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.406 |
| Data reduction software | DIALS (3.1.2) |
| Data scaling software | DIALS (3.1.2) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.900 | 2.370 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.121 | 3.209 |
| Rmeas | 0.131 | 3.521 |
| Number of reflections | 114168 | 5720 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 6 |
| CC(1/2) | 0.987 | 0.340 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M calcium acetate, 0.1 M imidazole pH 8.0, 10% PEG 8000 |
