8TUI

Crystal structure of Fab-Lirilumab bound to KIR2DL3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03
Spacegroup name	P 1 21 1
Unit cell lengths	58.379, 84.270, 62.268
Unit cell angles	90.00, 115.86, 90.00

Refinement procedure

Resolution	46.660 - 2.750
R-factor	0.2126
Rwork	0.211
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.138	0.920
Rmeas	0.146
Rpim	0.058
Number of reflections	13977	689
<I/σ(I)>	14
Completeness [%]	98.5	98.1
Redundancy	6.5	5.9
CC(1/2)		0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	200 mM Potassium Sodium Tartrate and 20%(w/v) PEG 3350