9CYL

Structure of LAG3 loop1 deletion bound to the MHC class II molecule I-A(b)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-12
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.97856
Spacegroup name	P 65 2 2
Unit cell lengths	184.994, 184.994, 122.672
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	92.500 - 4.660
R-factor	0.2709
Rwork	0.268
R-free	0.32570
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.500	13.860	4.940
High resolution limit [Å]	4.660	9.850	4.660
Rmerge	0.187	0.045	2.570
Rmeas	0.198
Number of reflections	7006	512	1098
<I/σ(I)>	10.91	46.49	1.13
Completeness [%]	99.8	100	99.4
Redundancy	10.5	10.37	11.2
CC(1/2)	0.992	0.999	0.387

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293.15	1% w/v Tryptone, 0.001 M Sodium azide, 0.05 M HEPES sodium pH 7.0, 12% w/v Polyethylene glycol 3,350