6RWJ

Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	37.645, 44.173, 78.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.259 - 1.400
R-factor	0.1584
Rwork	0.156
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lyw
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.170	44.170	1.200
High resolution limit [Å]	1.200	6.300	1.200
Rmerge	0.092	0.085	0.479
Rmeas	0.098	0.091	0.564
Rpim	0.032	0.030	0.285
Number of reflections	46538	352	1873
<I/σ(I)>	14
Completeness [%]	98.3	99.5	81.1
Redundancy	8.3	8.2	3.3
CC(1/2)	0.997	0.991	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	TRIS, PEG3350, NaCl