6AJV

Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	33.784, 47.147, 78.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.065 - 1.450
R-factor	0.1907
Rwork	0.189
R-free	0.22680
RMSD bond length	0.005
RMSD bond angle	0.848
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1-2155_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.100	1.500
High resolution limit [Å]	1.450	1.450
Rpim	0.018	0.285
Number of reflections	22542
<I/σ(I)>	22.2
Completeness [%]	98.8
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	4M sodium formate, 0.1M tris-HCl pH 8.0