6MAU

Crystal structure of human BRD4(1) in complex with CN210 (compound 19)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	42.631, 39.030, 94.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.460 - 2.110
R-factor	0.1874
Rwork	0.184
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.539
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.138	0.057	0.563
Rmeas	0.161	0.067	0.660
Rpim	0.082	0.035	0.335
Total number of observations	35081
Number of reflections	9490	1040	906
<I/σ(I)>	6.4
Completeness [%]	98.6	97.5	94.4
Redundancy	3.7	3.4	3.6
CC(1/2)		0.993	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	276	1.4 M Sodium/Potassium Phosphate pH 8.2