6DNE

Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660

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	RAYONIX MX-325
Wavelength(s)	1.0875
Spacegroup name	P 65 2 2
Unit cell lengths	87.540, 87.540, 172.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.423 - 2.958
R-factor	0.245
Rwork	0.243
R-free	0.28530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zyu
RMSD bond length	0.003
RMSD bond angle	1.209
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.010
High resolution limit [Å]	2.958	2.958
Number of reflections	8745
<I/σ(I)>	16.6
Completeness [%]	99.8	98.5
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	30% PEG 4000 0.1M TrisHCl pH8.5 0.2M Mg Chloride