7RYO

CD1a-dideoxymycobactin-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	234.881, 42.239, 124.656
Unit cell angles	90.00, 113.35, 90.00

Refinement procedure

Resolution	39.960 - 3.000
R-factor	0.224
Rwork	0.222
R-free	0.26670
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]	43.860	3.180
High resolution limit [Å]	3.000	3.000
Number of reflections	23043	3638
<I/σ(I)>	6.5
Completeness [%]	99.7
Redundancy	6.9
CC(1/2)	0.989	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350, 0.2M Ammonium sulfate