9NDS

Miniaturized HLA A*02-TAX bound to A6c134 TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9202
Spacegroup name	P 31
Unit cell lengths	106.906, 106.906, 190.592
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.620 - 3.400
R-factor	0.2204
Rwork	0.218
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.462
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.620	3.520
High resolution limit [Å]	3.400	3.400
Rmeas	0.327	3.046
Rpim	0.171	1.576
Number of reflections	33320	3374
<I/σ(I)>	4.33	0.64
Completeness [%]	99.3	99.29
Redundancy	3.5	3.6
CC(1/2)	0.976	0.149

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	50 mM magnesium formate, 17% PEG 3350 microseeded