8REF
Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953732 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.143, 81.970, 107.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.470 - 1.900 |
R-factor | 0.1878 |
Rwork | 0.186 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.897 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.21rc1_5127) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.470 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.112 | 0.804 |
Rmeas | 0.120 | 0.864 |
Rpim | 0.044 | 0.313 |
Number of reflections | 35846 | 2251 |
<I/σ(I)> | 12.2 | 2.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.6 |
CC(1/2) | 0.998 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350 and 2% EG |