6E5G

Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator

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	2018-05-17
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	123.757, 61.226, 79.839
Unit cell angles	90.00, 116.89, 90.00

Refinement procedure

Resolution	38.890 - 2.430
R-factor	0.2228
Rwork	0.221
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5emv
RMSD bond length	0.003
RMSD bond angle	0.601
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.170	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.098	1.198
Rmeas	0.116	1.423
Rpim	0.061	0.760
Number of reflections	20219	2112
<I/σ(I)>	9.8	1
Completeness [%]	99.7	100
Redundancy	3.6	3.5
CC(1/2)	0.996	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	2.4-2.8 M sodium formate, HEPES, pH 7.2- 7.4