7KGQ
Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N222-230
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 21 21 21 |
| Unit cell lengths | 60.157, 79.714, 111.471 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.600 - 1.340 |
| R-factor | 0.18 |
| Rwork | 0.179 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.020 | 48.020 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.340 | 1.340 |
| Rmerge | 0.080 | 0.060 | 1.452 |
| Rmeas | 0.083 | 0.062 | 1.509 |
| Rpim | 0.023 | 0.018 | 0.407 |
| Total number of observations | 1621917 | 9491 | 76338 |
| Number of reflections | 120760 | 859 | 5789 |
| <I/σ(I)> | 17.1 | 47.2 | 2 |
| Completeness [%] | 99.9 | 99.4 | 97.5 |
| Redundancy | 13.4 | 11 | 13.2 |
| CC(1/2) | 0.999 | 0.998 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20% PEG3350, 0.2M KFormate, 1mM CaCl2 |
