8ROO
Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A
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 | 2023-07-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953732 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.853, 81.482, 111.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.740 - 1.400 |
R-factor | 0.1554 |
Rwork | 0.154 |
R-free | 0.18860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.027 |
Data reduction software | XDS (1.20.1_4487) |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.250 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 91186 | 4394 |
<I/σ(I)> | 15.6 | 3.3 |
Completeness [%] | 99.6 | |
Redundancy | 7.9 | |
CC(1/2) | 0.999 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Potassium Nitrate, 20% w/v PEG 3350 at pH 6.5 |