7N1A
SARS-CoV-2 YLQ peptide binds to HLA-A2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 85.069, 85.069, 214.213 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.318 - 2.065 |
R-factor | 0.199 |
Rwork | 0.197 |
R-free | 0.24070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vr5 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.318 | 2.140 |
High resolution limit [Å] | 2.065 | 2.065 |
Rmerge | 0.141 | |
Number of reflections | 558646 | 56058 |
<I/σ(I)> | 17.8 | |
Completeness [%] | 100.0 | |
Redundancy | 10.2 | |
CC(1/2) | 0.991 | 0.958 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.2M Potassium thiocyanate (pH 7.0), 22% (w/v) PEG 3350 |