44IX

KIR2DS4 bound to HLA-C*05:01 presenting the TM9SF4 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	2023-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953737
Spacegroup name	P 21 21 21
Unit cell lengths	70.280, 95.197, 229.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 2.850
R-factor	0.2166
Rwork	0.214
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.140	2.930
High resolution limit [Å]	2.850	2.850
Rmerge		0.759
Number of reflections	36831	15019
<I/σ(I)>	7.84	2.2
Completeness [%]	99.5	99.65
Redundancy	5.9	5.3
CC(1/2)	0.990	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.2M lithium sulphate, 0.1M ammonium citrate pH 7, 20% PEG 3350