6AJY

Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone

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	33.750, 47.085, 78.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.878 - 1.600
R-factor	0.1934
Rwork	0.192
R-free	0.21970
RMSD bond length	0.005
RMSD bond angle	0.811
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]	40.310	1.660
High resolution limit [Å]	1.600	1.600
Rpim	0.021	0.247
Number of reflections	16953
<I/σ(I)>	18.9	3.1
Completeness [%]	99.5
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