6G0P

Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated E2F1 peptide (K117ac/K120ac)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	44.137, 53.358, 58.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.310 - 1.300
R-factor	0.1261
Rwork	0.125
R-free	0.14730
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	1.616
Data reduction software	MOSFLM
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]	58.126	58.126	1.370
High resolution limit [Å]	1.300	4.110	1.300
Rmerge		0.027	0.176
Rmeas	0.036	0.029	0.197
Rpim	0.014	0.011	0.087
Total number of observations	232698
Number of reflections	34488	1221	4929
<I/σ(I)>	29.6	19.9	4.5
Completeness [%]	99.9	99.9	99.6
Redundancy	6.7	6.5	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	20.0 % PEG3350 10.0 % EtGly 0.2 M NaCHO