7JO8

Crystal structure of a Chimeric Antigen Receptor (CAR) scFv domain rearrangement forming a VL-VL dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	110
Detector technology	PIXEL
Collection date	2019-05-23
Detector	ADSC HF-4M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	79.322, 79.221, 40.616
Unit cell angles	90.00, 109.56, 90.00

Refinement procedure

Resolution	39.610 - 1.399
R-factor	0.1557
Rwork	0.155
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ejg 4yjz 3auv 1ktr 6i07 1h8n 5ogi 6j71
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	200.000	200.000	1.420
High resolution limit [Å]	1.399	3.800	1.400
Rmerge	0.071	0.032	1.361
Rmeas	0.074	0.033	1.440
Rpim	0.022	0.010	0.460
Number of reflections	46445	2377	2227
<I/σ(I)>	7.5
Completeness [%]	99.8	100	97.5
Redundancy	11.2	11.3	9.3
CC(1/2)		0.999	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	ammonium sulfate, PEG 400, magnesium sulfate, Tris pH 85.