7N2N

TCR-antigen complex AS4.2-PRPF3-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	2020-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 1 21 1
Unit cell lengths	83.109, 53.154, 106.818
Unit cell angles	90.00, 98.48, 90.00

Refinement procedure

Resolution	47.480 - 2.600
R-factor	0.2495
Rwork	0.248
R-free	0.29070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5KSB 1JGE
RMSD bond length	0.002
RMSD bond angle	0.449
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.760	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	59379	3273
<I/σ(I)>	7
Completeness [%]	94.2
Redundancy	3.4
CC(1/2)	0.994	0.230

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350 with 0.2M Potassium phosphate monobasic