9BL6

KIR3DL1*114 in complex with HLA-A*24:02 presenting the TW9 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	2022-08-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 1
Unit cell lengths	52.188, 62.549, 66.896
Unit cell angles	94.05, 100.14, 109.68

Refinement procedure

Resolution	48.010 - 2.400
R-factor	0.2275
Rwork	0.226
R-free	0.25610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.397
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]	48.010	2.490
High resolution limit [Å]	2.400	2.400
Rmerge		0.659
Number of reflections	29445	3093
<I/σ(I)>	8.2	2.7
Completeness [%]	97.0
Redundancy	3.2
CC(1/2)	0.994	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	14% PEG 3550, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6