6F58

Crystal structure of human Brachyury (T) in complex with 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	2017-08-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	74.978, 37.109, 110.796
Unit cell angles	90.00, 103.99, 90.00

Refinement procedure

Resolution	29.649 - 2.253
R-factor	0.2445
Rwork	0.242
R-free	0.28770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xbr
RMSD bond length	0.004
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.650	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.123	0.689
Rmeas		0.940
Rpim	0.079	0.501
Number of reflections	27866	2466
<I/σ(I)>	6.1	1.5
Completeness [%]	97.6	94.1
Redundancy	3.4	3.4
CC(1/2)	0.992	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	40% PEG300 -- 0.1M citrate pH 4.2