7EU2
Complex structure of HLA0201 with recognizing SARS-CoV-2 epitope S1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 70.490, 103.340, 128.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.134 - 2.800 |
R-factor | 0.233 |
Rwork | 0.231 |
R-free | 0.26620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hhn |
RMSD bond length | 0.004 |
RMSD bond angle | 0.879 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.134 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmeas | 0.219 | |
Number of reflections | 23705 | 1720 |
<I/σ(I)> | 10.73 | 1.69 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 7.75 | |
CC(1/2) | 0.995 | 0.654 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 287 | 26% PEG 4000, 0.2 M Sodium acetate, and 0.1 M Tris-HCl pH9.0 |