8ELG
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 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 | 50.926, 81.550, 110.533 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.200 - 1.650 |
R-factor | 0.1846 |
Rwork | 0.183 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5txs |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.8) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.300 | 46.300 | 1.670 |
High resolution limit [Å] | 1.640 | 8.970 | 1.640 |
Rmerge | 0.146 | 0.070 | 1.392 |
Rmeas | 0.152 | 0.074 | 1.453 |
Rpim | 0.041 | 0.022 | 0.408 |
Total number of observations | 764420 | 4555 | 31333 |
Number of reflections | 57587 | 425 | 2635 |
<I/σ(I)> | 10.6 | 31.6 | 1.2 |
Completeness [%] | 99.7 | 99.1 | 94.6 |
Redundancy | 13.3 | 10.7 | 11.9 |
CC(1/2) | 0.998 | 0.995 | 0.624 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 2% ethylene glycol, 20% w/v PEG3350 |