6IN1

Crystal structure of the first bromodomain of BRD4 in complex with 18-Crown-6

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	38.633, 44.896, 78.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.284 - 1.500
R-factor	0.1752
Rwork	0.174
R-free	0.18750
RMSD bond length	0.006
RMSD bond angle	1.204
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]	29.500	1.550
High resolution limit [Å]	1.500	1.500
Rpim	0.026	0.214
Number of reflections	22412
<I/σ(I)>	15.2
Completeness [%]	99.8
Redundancy	5.8

Crystallization Conditions

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