7F5K

Crystal structure of TCR4-1 ectodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2021-05-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.07
Spacegroup name	P 21 21 21
Unit cell lengths	64.874, 73.790, 170.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.722 - 3.000
R-factor	0.229020807595
Rwork	0.225
R-free	0.31084
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ea6
RMSD bond length	0.011
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.722	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.185	0.973
Rmeas	0.200	1.067
Rpim	0.075	0.430
Number of reflections	17068	2452
<I/σ(I)>	9.7
Completeness [%]	99.9	99.9
Redundancy	6.9	6.1
CC(1/2)	0.990	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M Bis-tris (pH 5.5), 0.2M lithium acetate, 17% (w/v) polyethylene glycol 10000