9YAF

TCR-HLA-DQ2.5-glia-a1a complex

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	2022-04-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	90.619, 122.666, 252.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.590 - 3.250
R-factor	0.2236
Rwork	0.222
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.710
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.590	3.360
High resolution limit [Å]	3.250	3.250
Rmerge	0.292	1.179
Number of reflections	45228	4365
<I/σ(I)>	6.5
Completeness [%]	99.9
Redundancy	9.2
CC(1/2)	0.971	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M trisodium citrate, 16-20% PEG3350