8CMC
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S511-530
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-07 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 60.576, 60.576, 419.245 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.460 - 1.420 |
| R-factor | 0.1875 |
| Rwork | 0.186 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.438 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.470 | 1.470 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.116 | 3.341 |
| Rmeas | 0.117 | 3.383 |
| Rpim | 0.019 | 0.530 |
| Number of reflections | 88010 | 8568 |
| <I/σ(I)> | 16.93 | 0.73 |
| Completeness [%] | 100.0 | 99.63 |
| Redundancy | 38.9 | 39.4 |
| CC(1/2) | 1.000 | 0.663 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M MES pH 7.0, 25 % PEG8000, 0.2 M (NH4)2SO4 |
