6G0Q

Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated GATA1 peptide (K312ac/K315ac)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	39.284, 43.855, 82.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.170 - 1.400
R-factor	0.1431
Rwork	0.141
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of 2OSS 2ouo 2grc 2oo1 3dai 3d7c 3dwy
RMSD bond length	0.014
RMSD bond angle	1.662
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.855	43.855	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge		0.104	0.063
Rmeas	0.078	0.115	0.069
Rpim	0.030	0.047	0.027
Total number of observations	179422
Number of reflections	28201	1001	3998
<I/σ(I)>	24.4	6.1	9.5
Completeness [%]	98.4	98.6	97.3
Redundancy	6.4	5.6	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	30.0% PEG 1k 0.1M SPG pH 8.0