7TLT
SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02
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 | 2021-11-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953739 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.812, 64.467, 76.422 |
| Unit cell angles | 106.53, 92.43, 97.51 |
Refinement procedure
| Resolution | 41.290 - 2.300 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7jyv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.220 | 48.220 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.084 | 0.044 | 0.639 |
| Rmeas | 0.112 | 0.056 | 0.864 |
| Rpim | 0.074 | 0.034 | 0.578 |
| Total number of observations | 75049 | 1346 | 7532 |
| Number of reflections | 37380 | 645 | 3668 |
| <I/σ(I)> | 4.1 | 9.1 | 1.3 |
| Completeness [%] | 95.4 | 94.4 | 95.5 |
| Redundancy | 2 | 2.1 | 2.1 |
| CC(1/2) | 0.993 | 0.994 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.9 M Ammonium Sulfate, 20 mM Magnesium chloride, 0.1M Bis-tris propane, 2% Ethylene glycol, 2% 2-Methyl-2,4-pentanediol |
