8IF1
Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF
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 | 2022-01-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.050, 167.490, 168.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.318 - 2.500 |
Rwork | 0.251 |
R-free | 0.30860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7f4w |
RMSD bond length | 0.004 |
RMSD bond angle | 0.710 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.320 | 2.589 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 47187 | 3390 |
<I/σ(I)> | 16.04 | |
Completeness [%] | 99.8 | 99.42 |
Redundancy | 14.42 | 11.62 |
CC(1/2) | 0.999 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287 | 20% PEG 8000, 0.1 M HEPES 7.5 |