6F59

Crystal structure of human Brachyury (T) G177D variant 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 43 2 2
Unit cell lengths	75.270, 75.270, 288.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.831 - 2.151
R-factor	0.2229
Rwork	0.221
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xbr
RMSD bond length	0.008
RMSD bond angle	0.963
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	144.230	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.114	2.618
Rmeas	0.117	2.677
Rpim	0.024	0.550
Number of reflections	46387	3687
<I/σ(I)>	12.9	1.2
Completeness [%]	99.9	98.7
Redundancy	25.5	23.1
CC(1/2)	0.997	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	56% MPD -- 0.1M SPG pH 6.0