9Q1M

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	2021-04-15
Detector	RDI CMOS_8M
Wavelength(s)	1.07216
Spacegroup name	C 1 2 1
Unit cell lengths	112.298, 60.805, 80.057
Unit cell angles	90.00, 111.53, 90.00

Refinement procedure

Resolution	52.840 - 2.600
R-factor	0.2049
Rwork	0.202
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e5g
RMSD bond length	0.003
RMSD bond angle	0.717
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]	53.840	2.910
High resolution limit [Å]	2.600	2.600
Rmeas	0.197	0.916
Rpim	0.102	0.493
Number of reflections	8980	449
<I/σ(I)>	5.3	1.1
Completeness [%]	84.7	51.7
Redundancy	3.6	3.4
CC(1/2)	0.985	0.571

Crystallization Conditions

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