6DJC

Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.08754
Spacegroup name	P 21 21 21
Unit cell lengths	54.000, 59.720, 95.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.323 - 1.460
R-factor	0.1427
Rwork	0.141
R-free	0.17620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zyu
RMSD bond length	0.005
RMSD bond angle	1.417
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.490
High resolution limit [Å]	1.460	1.460
Rmerge	0.044	0.914
Rpim	0.013	0.281
Number of reflections	50373
<I/σ(I)>	53.6
Completeness [%]	92.8
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Ammonium sulfate, 0.1M Bis-Tris pH6.5, 25% w/v Polyethylene glycol 3350