7KGP
Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N316-324
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 | 2020-05-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.192, 79.546, 111.578 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.000 - 1.396 |
| R-factor | 0.1948 |
| Rwork | 0.194 |
| R-free | 0.20350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.000 | 48.000 | 1.420 |
| High resolution limit [Å] | 1.396 | 7.650 | 1.400 |
| Rmerge | 0.064 | 0.043 | 1.349 |
| Rmeas | 0.066 | 0.045 | 1.405 |
| Rpim | 0.018 | 0.013 | 0.385 |
| Total number of observations | 8656 | 58020 | |
| Number of reflections | 106332 | 759 | 4607 |
| <I/σ(I)> | 19.3 | 52.4 | 2.1 |
| Completeness [%] | 99.4 | 99.3 | 88.4 |
| Redundancy | 13.4 | 11.4 | 12.6 |
| CC(1/2) | 0.999 | 0.999 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 20% 3350, 0.2M NaFluoride, 1 mM CdCl2 |
