7PBE
Emergence of immune escape at dominant SARS-CoV-2 killer T-cell epitope
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 | 2021-06-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91808 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 229.240, 46.450, 184.720 |
| Unit cell angles | 90.00, 96.75, 90.00 |
Refinement procedure
| Resolution | 113.830 - 3.000 |
| R-factor | 0.2314 |
| Rwork | 0.228 |
| R-free | 0.29570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7p3d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.097 |
| Data reduction software | XDS |
| Data scaling software | DIALS |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 113.830 | 113.830 | 2.750 |
| High resolution limit [Å] | 2.680 | 11.990 | 2.680 |
| Rmerge | 0.133 | 0.025 | 3.489 |
| Rmeas | 0.155 | 0.029 | 4.031 |
| Rpim | 0.078 | 0.016 | 1.997 |
| Total number of observations | 212580 | 2414 | 16291 |
| Number of reflections | 55107 | 692 | 4049 |
| <I/σ(I)> | 6.3 | 29.9 | 0.3 |
| Completeness [%] | 99.5 | 97.7 | 99.8 |
| Redundancy | 3.9 | 3.5 | 4 |
| CC(1/2) | 0.998 | 0.999 | 0.441 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 M ammonium sulphate, 0.1 M Tris, pH 8.5, and 25 % w/v PEG 4000 |
