6AJX

Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO

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	2017-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	32.830, 46.875, 78.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.289 - 1.887
R-factor	0.2061
Rwork	0.204
R-free	0.23660
RMSD bond length	0.006
RMSD bond angle	0.810
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.12-2829_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.300	1.950
High resolution limit [Å]	1.887	1.890
Rpim	0.030	0.211
Number of reflections	10088
<I/σ(I)>	17.1
Completeness [%]	98.4
Redundancy	5.8

Crystallization Conditions

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