7S8R
Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B
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 | 2020-10-17 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 0.98 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 71.330, 120.410, 122.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.430 - 2.950 |
R-factor | 0.228 |
Rwork | 0.226 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mj5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.430 | 3.130 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.114 | 0.583 |
Total number of observations | 76936 | |
Number of reflections | 21329 | 3472 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 93.8 | 96.1 |
Redundancy | 3.6 | 3.7 |
CC(1/2) | 0.993 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 2M Ammonium Sulfate, 0.1 Tris pH 8, 0.2 Lithium Sulfate, 2% PEG 400 |