7N1B
SARS-CoV-2 RLQ 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 1 |
Unit cell lengths | 47.204, 49.259, 117.094 |
Unit cell angles | 91.89, 92.39, 118.59 |
Refinement procedure
Resolution | 43.174 - 2.810 |
R-factor | 0.2138 |
Rwork | 0.211 |
R-free | 0.26910 |
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] | 43.200 | 2.910 |
High resolution limit [Å] | 2.810 | 2.810 |
Number of reflections | 37697 | 3276 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 96.1 | |
Redundancy | 1.7 | |
CC(1/2) | 0.911 | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.2M Ammonium sulfate, 0.1M MES (pH 6.5), 20% (w/v) PEG 8000 by micro-seeding |