6E4A

Crystal structure of human BRD4(1) in complex with CN750

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 1 21 1
Unit cell lengths	41.477, 51.468, 55.297
Unit cell angles	90.00, 90.22, 90.00

Refinement procedure

Resolution	55.300 - 1.260
R-factor	0.1631
Rwork	0.162
R-free	0.18860
RMSD bond length	0.021
RMSD bond angle	2.297
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.300	50.000	1.310
High resolution limit [Å]	1.260	2.710	1.260
Rmerge	0.041	0.028	0.210
Rmeas	0.048	0.032	0.248
Rpim	0.025	0.017	0.132
Number of reflections	61603	6249	5965
<I/σ(I)>	21.7
Completeness [%]	97.6	96.8	94.9
Redundancy	3.5	3.6	3.4
CC(1/2)		0.997	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	297	100 mM TrisHCl pH 8.5, 25% PEG 3350