7T2K

Crystal Structure of TEAD2 in a covalent complex with TED-661

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-09-24
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	C 1 2 1
Unit cell lengths	121.910, 61.272, 79.738
Unit cell angles	90.00, 117.46, 90.00

Refinement procedure

Resolution	48.160 - 2.340
R-factor	0.2355
Rwork	0.233
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e5g
RMSD bond length	0.005
RMSD bond angle	0.915
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]	48.160	2.690
High resolution limit [Å]	2.330	2.330
Rmeas	0.139	1.310
Rpim	0.072	0.700
Number of reflections	12555	629
<I/σ(I)>	8.9	1.2
Completeness [%]	85.5	44.6
Redundancy	3.7	3.3
CC(1/2)	0.994	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sodium Formate 1.8 M - 2.4 M Hepes pH 7.2 - 7.4