5NO6

TEAD4-HOXB13 complex bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97242
Spacegroup name	I 1 2 1
Unit cell lengths	82.659, 56.674, 144.993
Unit cell angles	90.00, 93.81, 90.00

Refinement procedure

Resolution	45.000 - 2.880
R-factor	0.24371
Rwork	0.240
R-free	0.31677
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eea
RMSD bond length	0.009
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	Aimless (0.5.9)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.710	46.710	3.060
High resolution limit [Å]	2.880	8.650	2.880
Rmerge	0.039	0.012	1.845
Rmeas	0.049	0.015	2.288
Rpim	0.029	0.009	1.331
Number of reflections	14626
<I/σ(I)>	12
Completeness [%]	95.1	88.4	94.8
Redundancy	2.4	2.3	2.4
CC(1/2)	1.000	1.000	0.257

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.24	298	PEG (4000), Ammonium sulphate, PME(550, MOPs