7RTD
SARS-CoV-2 Spike-derived peptide S269-277 (YLQPRTFLL) 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 | 2020-06-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.090, 80.120, 58.510 |
| Unit cell angles | 90.00, 115.43, 90.00 |
Refinement procedure
| Resolution | 40.060 - 2.050 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| 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] | 47.430 | 47.430 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
| Rmerge | 0.102 | 0.034 | 0.684 |
| Rmeas | 0.122 | 0.041 | 0.814 |
| Rpim | 0.067 | 0.022 | 0.437 |
| Total number of observations | 92488 | 1187 | 7425 |
| Number of reflections | 27701 | 350 | 2174 |
| <I/σ(I)> | 8.6 | 24.2 | 2.1 |
| Completeness [%] | 97.6 | 96.1 | 97.8 |
| Redundancy | 3.3 | 3.4 | 3.4 |
| CC(1/2) | 0.993 | 0.995 | 0.619 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 3350, 0.2M NaFluoride |
