9PBH

AS19.2 TCR complex with PSG5-HLA B*27:05

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	84.079, 52.719, 100.317
Unit cell angles	90.00, 96.35, 90.00

Refinement procedure

Resolution	44.590 - 2.130
R-factor	0.2107
Rwork	0.210
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.581
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]	49.850	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.142	1.283
Rmeas	0.169	1.522
Rpim	0.091	0.807
Number of reflections	47977	3933
<I/σ(I)>	7.3	1.2
Completeness [%]	97.4	97.8
Redundancy	3.4	3.4
CC(1/2)	0.993	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M sodium formate; 20% PEG 3350