6Q36

TEAD4(216-434) complexed with optimized peptide 9 and myristoate (covalently bound) at 2.01A resolution: Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00004
Spacegroup name	C 1 2 1
Unit cell lengths	172.868, 40.438, 98.034
Unit cell angles	90.00, 93.44, 90.00

Refinement procedure

Resolution	19.800 - 2.010
R-factor	0.2179
Rwork	0.217
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q2x
RMSD bond length	0.008
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	2.062
High resolution limit [Å]	2.010	2.010
Rmerge	0.056	0.538
Rmeas	0.067	0.650
Number of reflections	45287
<I/σ(I)>	12.1	2.1
Completeness [%]	99.0	94.8
Redundancy	3.3	3
CC(1/2)	0.997	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.9 M NaK Phosphate