8CX4

TCR-antigen complex AS8.4-YEIH-HLA*B27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	83.226, 51.731, 98.411
Unit cell angles	90.00, 97.00, 90.00

Refinement procedure

Resolution	39.960 - 2.200
R-factor	0.2225
Rwork	0.220
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ksb
RMSD bond length	0.003
RMSD bond angle	0.572
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	39894	3517
<I/σ(I)>	6.8
Completeness [%]	93.6
Redundancy	7.3
CC(1/2)	0.995	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% PEG3350 and 0.1M HEPES pH 7.5