8ELH
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANQF from SARS-CoV-2 virus
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 | 2022-09-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.956 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.812, 81.241, 110.069 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.080 - 1.850 |
R-factor | 0.1803 |
Rwork | 0.178 |
R-free | 0.22270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8elg |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.1) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18-2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.560 | 45.560 | 1.890 |
High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
Rmerge | 0.217 | 0.120 | 2.237 |
Rmeas | 0.226 | 0.125 | 2.324 |
Rpim | 0.061 | 0.036 | 0.627 |
Total number of observations | 535056 | 4745 | 32820 |
Number of reflections | 39747 | 410 | 2437 |
<I/σ(I)> | 9.2 | 18.9 | 2.6 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 13.5 | 11.6 | 13.5 |
CC(1/2) | 0.996 | 0.985 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2 M sodium formate, pH 7.0, 20% w/v PEG3350 |