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 |