9BL2

KIR3DL1*001 in complex with HLA-B*57:03 presenting the AW10 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	2022-09-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 1
Unit cell lengths	52.012, 61.426, 65.832
Unit cell angles	94.84, 98.93, 109.13

Refinement procedure

Resolution	46.300 - 2.100
R-factor	0.1997
Rwork	0.198
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.903
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]	48.200	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.066
Rmeas	0.078
Rpim	0.042
Number of reflections	42874	3513
<I/σ(I)>	9.3
Completeness [%]	97.6	97.3
Redundancy	3.5	3.3
CC(1/2)	0.997	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	18% PEG-3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6