8YZZ
The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYNYLYRLF(Prototype)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.859, 65.686, 50.090 |
| Unit cell angles | 90.00, 90.44, 90.00 |
Refinement procedure
| Resolution | 42.450 - 1.880 |
| R-factor | 0.1907 |
| Rwork | 0.189 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7f4w |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.021 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.930 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rpim | 0.110 | 0.752 |
| Number of reflections | 42782 | 6179 |
| <I/σ(I)> | 5.6 | 2.3 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 5.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M Sodium citrate tribasic dihydrate ,18%w/v Polyethylene glycol 3350 |
