7SIS
SARS-CoV-2 Spike-derived peptide S976-984 (VLNDILSRL) 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 | 2020-07-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.336, 80.753, 110.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.660 - 1.900 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oga |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.330 | 48.330 | 1.950 |
| High resolution limit [Å] | 1.900 | 8.930 | 1.900 |
| Rmerge | 0.108 | 0.097 | 1.276 |
| Rmeas | 0.115 | 0.105 | 1.358 |
| Rpim | 0.039 | 0.037 | 0.457 |
| Total number of observations | 365840 | 3456 | 21514 |
| Number of reflections | 42888 | 487 | 2590 |
| <I/σ(I)> | 11.7 | 27 | 1.8 |
| Completeness [%] | 99.3 | 98.3 | 90.5 |
| Redundancy | 8.5 | 7.1 | 8.3 |
| CC(1/2) | 0.997 | 0.991 | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20% PEG 3350, 0.2M Ammonium Formate, 1 mM CdCl2 |
