8HN4
Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope QYIKWPWYI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97902 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.066, 67.246, 116.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.640 - 2.853 |
Rwork | 0.212 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.640 | 2.950 |
High resolution limit [Å] | 2.853 | 2.853 |
Rmerge | 0.131 | 0.566 |
Rmeas | 0.186 | 0.186 |
Rpim | 0.083 | 0.345 |
Number of reflections | 9438 | 901 |
<I/σ(I)> | 9.53 | 2.06 |
Completeness [%] | 99.4 | 98.79 |
Redundancy | 4.8 | |
CC(1/2) | 0.978 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 287 | 30% PEG 4000, 0.2 M Sodium acetate, and 0.1 M Tris-HCl pH8.5 |