8E1O

Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	122.150, 62.069, 79.856
Unit cell angles	90.00, 117.41, 90.00

Refinement procedure

Resolution	70.890 - 2.250
R-factor	0.2026
Rwork	0.200
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5emv
RMSD bond length	0.006
RMSD bond angle	0.729
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.890	2.550
High resolution limit [Å]	2.250	2.250
Number of reflections	14901	745
<I/σ(I)>	10.6
Completeness [%]	92.3
Redundancy	3.3
CC(1/2)	0.998	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	200 mM potassium/sodium tartrate, pH 6.5, 20% PEG3350