6WA0

De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release

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	2019-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 32 2 1
Unit cell lengths	96.159, 96.159, 79.299
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.638 - 3.484
R-factor	0.2238
Rwork	0.220
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eh6
Data reduction software	XDS (Mar 15, 2019 BUILT=20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.080	48.080	3.560
High resolution limit [Å]	3.300	8.720	3.300
Rmerge	0.164	0.039	2.044
Rmeas	0.172	0.041	2.148
Rpim	0.054	0.014	0.656
Total number of observations	67364	3568	14143
Number of reflections	6676	404	1354
<I/σ(I)>	10.7	40.5	1.3
Completeness [%]	100.0	99.5	100
Redundancy	10.1	8.8	10.4
CC(1/2)	0.999	0.999	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	10 mg/ml peptide in 30mM C8E4 65 v/v 2-methyl-2,4-pentanediol 0.1 M tris chloride pH 8