6S69

Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.966
Spacegroup name	C 1 2 1
Unit cell lengths	121.539, 61.665, 80.055
Unit cell angles	90.00, 117.66, 90.00

Refinement procedure

Resolution	70.900 - 2.150
R-factor	0.2028
Rwork	0.200
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.691
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.900	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.028	0.395
Number of reflections	27656	2738
<I/σ(I)>	12.1
Completeness [%]	96.4
Redundancy	1.7
CC(1/2)	0.999	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2.8M sodium formate