8RBV
SARS-CoV-2 Spike-derived peptide S976-984 S982A mutant (VLNDILARL) 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 | 2021-09-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953732 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.821, 78.177, 110.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.670 - 1.800 |
| R-factor | 0.1814 |
| Rwork | 0.180 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oga |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX ((1.21rc1_5127: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.510 | 47.510 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.091 | 0.042 | 1.234 |
| Rmeas | 0.099 | 0.045 | 1.326 |
| Rpim | 0.036 | 0.017 | 0.484 |
| Total number of observations | 359908 | 2853 | 21501 |
| Number of reflections | 49032 | 463 | 2881 |
| <I/σ(I)> | 12 | 34 | 1.7 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 7.3 | 6.2 | 7.5 |
| CC(1/2) | 0.998 | 0.998 | 0.632 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 13% P3350; 0.1M NaFlu; 2% EG; 1 mM CdCl2 |
