9SYI

Crystal structure of TEAD4 in complex with compound 9

This is a non-PDB format compatible entry.

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	2017-04-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99992
Spacegroup name	P 21 21 21
Unit cell lengths	35.769, 89.631, 135.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.890 - 2.102
R-factor	0.2159
Rwork	0.214
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1UNBQ
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.890	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.129	0.848
Rmeas	0.147	0.961
Number of reflections	24468	1223
<I/σ(I)>	13.2	2.3
Completeness [%]	93.1	64
Redundancy	4.7	2.3
CC(1/2)	0.995	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	sodium/potassium phosphate