9NMW

TCR156 S30Ealpha S32Qalpha bound to HLA A*02:01-PAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-10
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	226.008, 46.635, 92.552
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	46.020 - 2.110
R-factor	0.1959
Rwork	0.194
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.592
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]	46.020	2.150
High resolution limit [Å]	2.110	2.110
Rmerge	0.075	1.810
Rmeas	0.089	2.135
Rpim	0.048	1.120
Number of reflections	55203	3202
<I/σ(I)>	10.1	0.57
Completeness [%]	98.7	98.52
Redundancy	3.5	3.6
CC(1/2)	0.998	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295	0.2 M Na2SO4, bis tris propane pH 7.5, 20% PEG 3350