9BL9
KIR3DL1*114 in complex with HLA-A*24:02 presenting the NEF peptide
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 | 2022-04-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953659 |
Spacegroup name | P 1 |
Unit cell lengths | 46.532, 60.602, 64.635 |
Unit cell angles | 93.96, 96.19, 105.50 |
Refinement procedure
Resolution | 41.240 - 2.600 |
R-factor | 0.2245 |
Rwork | 0.224 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.485 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.360 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.071 | 0.472 |
Number of reflections | 20269 | 2442 |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 98.0 | 97.6 |
Redundancy | 3.1 | |
CC(1/2) | 0.996 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 294 | 14% PEG 3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6 |