7KGR
Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N159-167
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 | 2020-06-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.329, 80.535, 57.065 |
| Unit cell angles | 90.00, 113.47, 90.00 |
Refinement procedure
| Resolution | 22.190 - 1.550 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.920 | 48.920 | 1.580 |
| High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
| Rmerge | 0.048 | 0.033 | 1.168 |
| Rmeas | 0.052 | 0.036 | 1.258 |
| Rpim | 0.020 | 0.014 | 0.464 |
| Total number of observations | 442231 | 2435 | 22524 |
| Number of reflections | 63881 | 407 | 3135 |
| <I/σ(I)> | 17.5 | 52.8 | 1.7 |
| Completeness [%] | 99.6 | 97 | 99.1 |
| Redundancy | 6.9 | 6 | 7.2 |
| CC(1/2) | 0.999 | 0.998 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20% PEG3350 w/v, 0.2 M NaFormate |
