9NMY

TCR156 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	225.225, 46.065, 91.339
Unit cell angles	90.00, 94.80, 90.00

Refinement procedure

Resolution	49.660 - 2.010
R-factor	0.196
Rwork	0.195
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.615
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.660	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.077	1.668
Rmeas	0.091	1.570
Rpim	0.048	1.015
Number of reflections	60407	4302
<I/σ(I)>	9.73	0.66
Completeness [%]	96.1	97.68
Redundancy	3.5	3.6
CC(1/2)	0.998	0.371

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.3	295	0.2 M sodium malonat, 20% PEG 3350