8PXN

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-16
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 1
Unit cell lengths	30.265, 41.879, 105.383
Unit cell angles	89.97, 89.95, 89.88

Refinement procedure

Resolution	35.128 - 1.952
Rwork	0.192
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.403
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.690	2.180
High resolution limit [Å]	1.950	1.950
Rmerge	0.043	0.128
Number of reflections	35040	9779
<I/σ(I)>	18.3	6.7
Completeness [%]	92.8	90.6
Redundancy	2.1	2.1
CC(1/2)	0.975	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1M Tris pH8.5, 12% w/v 4K