8CDN

Crystal structure of human Brachyury in complex with a single T box binding element DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9159
Spacegroup name	P 61 2 2
Unit cell lengths	63.018, 63.018, 218.579
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.570 - 2.550
R-factor	0.2747
Rwork	0.273
R-free	0.30180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.055
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.000	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.111	2.863
Number of reflections	9158	666
<I/σ(I)>	15.9	1
Completeness [%]	100.0
Redundancy	17.4
CC(1/2)	1.000	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	0.1M ammonium acetate -- 0.1M bis-tris pH 5.5 -- 16%(w/v) PEG10000