7F4W
Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope pep4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.440, 135.600, 153.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.830 - 2.900 |
R-factor | 0.2466 |
Rwork | 0.244 |
R-free | 0.29820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bck |
RMSD bond length | 0.010 |
RMSD bond angle | 1.111 |
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] | 47.830 | 3.030 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.340 | |
Rmeas | 0.355 | |
Number of reflections | 22639 | 1659 |
<I/σ(I)> | 13.39 | 1.65 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 12.1 | 12.1 |
CC(1/2) | 0.993 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.1 | 287 | 0.1 M HEPES pH8.1 22%(v/v) PEG8000 |