7RYN

CD1a-sulfatide-gdTCR complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	C 1 2 1
Unit cell lengths	234.633, 42.206, 123.065
Unit cell angles	90.00, 114.29, 90.00

Refinement procedure

Resolution	42.930 - 2.700
R-factor	0.234
Rwork	0.232
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rym
RMSD bond length	0.002
RMSD bond angle	0.560
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.930	2.930
High resolution limit [Å]	2.700	2.700
Number of reflections	31003	4097
<I/σ(I)>	14.2
Completeness [%]	99.9
Redundancy	11.4
CC(1/2)	0.991	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15% PEG 4000, 0.15M Ammonium Sulfate, 0.1M MES pH6