9BL5

KIR3DL1*001 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	2022-09-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 1
Unit cell lengths	52.437, 62.119, 67.000
Unit cell angles	93.44, 100.67, 109.97

Refinement procedure

Resolution	35.880 - 2.000
R-factor	0.2115
Rwork	0.210
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.882
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]	48.090	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.040	0.342
Number of reflections	50901	3706
<I/σ(I)>	14.1	3
Completeness [%]	97.4
Redundancy	3.3
CC(1/2)	0.998	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	16% PEG-3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6