7RYM

CD1a-endo-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	2020-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	C 1 2 1
Unit cell lengths	237.076, 42.461, 121.589
Unit cell angles	90.00, 116.13, 90.00

Refinement procedure

Resolution	41.640 - 3.200
R-factor	0.2493
Rwork	0.247
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7RYL and 7KP1
RMSD bond length	0.002
RMSD bond angle	0.601
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]	41.640	3.420
High resolution limit [Å]	3.200	3.200
Number of reflections	18526	3277
<I/σ(I)>	8.8
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.972	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350, 0.2M Ammonium Sulfate