7KGS
Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N138-146
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 PILATUS 6M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.028, 78.903, 110.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.290 - 1.580 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.19700 |
| 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] | 47.770 | 47.770 | 1.610 |
| High resolution limit [Å] | 1.580 | 8.650 | 1.580 |
| Rmerge | 0.081 | 0.041 | 1.260 |
| Rmeas | 0.086 | 0.044 | 1.332 |
| Rpim | 0.028 | 0.015 | 0.430 |
| Total number of observations | 677855 | 3975 | 33071 |
| Number of reflections | 72687 | 519 | 3502 |
| <I/σ(I)> | 16.1 | 49 | 1.9 |
| Completeness [%] | 100.0 | 98.6 | 100 |
| Redundancy | 9.3 | 7.7 | 9.4 |
| CC(1/2) | 0.999 | 0.999 | 0.676 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 20% PEG3350 w/v, 0.2 M NaFormate, 1 mM CdCl2 |
