8PXM

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(pentane-1,5-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	2016-07-27
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	41.936, 59.766, 105.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.500 - 2.378
R-factor	0.2122
Rwork	0.207
R-free	0.30930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.940	2.750
High resolution limit [Å]	2.380	2.380
Rmerge	0.047	0.116
Number of reflections	7281	3638
<I/σ(I)>	14.5	6.8
Completeness [%]	91.9	96.1
Redundancy	2.1	2
CC(1/2)	0.923	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1M Tris pH8.5, 0.2M lithium sulphate, 16% w/v PEG4K