7L9J

Crystal structure of the second bromodomain (BD2) of human BRD2 bound to Ro3280

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	52.330, 72.148, 31.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.361 - 1.850
R-factor	0.1641
Rwork	0.162
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l9g
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.066	0.041	0.258
Rmeas	0.073	0.045	0.289
Rpim	0.030	0.020	0.127
Total number of observations	62931
Number of reflections	10855	624	520
<I/σ(I)>	10.4
Completeness [%]	99.8	99.7	96.8
Redundancy	5.8	5.2	4.8
CC(1/2)		0.998	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5, 25 % w/v Polyethylene glycol 3,350