7SA2
SARS-CoV-2 spike-derived peptide S1060-1068 (VVFLHVTYV) presented by HLA-A*02:01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.533, 79.242, 111.579 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.620 - 1.850 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oga |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.100 | 48.100 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.162 | 0.078 | 1.564 |
| Rmeas | 0.170 | 0.083 | 1.636 |
| Rpim | 0.050 | 0.026 | 0.478 |
| Total number of observations | 532167 | 4512 | 33768 |
| Number of reflections | 46633 | 470 | 2858 |
| <I/σ(I)> | 11.3 | 22.3 | 3.2 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 11.4 | 9.6 | 11.8 |
| CC(1/2) | 0.996 | 0.982 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3350, 0.2 M K formate, 1 mM CdCl2 |
