7L9L

Crystal structure of the second bromodomain (BD2) of human BRD3 bound to BI2536

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5417
Spacegroup name	C 1 2 1
Unit cell lengths	55.190, 63.470, 40.000
Unit cell angles	90.00, 109.55, 90.00

Refinement procedure

Resolution	37.694 - 1.550
R-factor	0.1512
Rwork	0.150
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l72
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.694	37.694	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.018	0.020	0.043
Rmeas	0.022	0.025	0.060
Total number of observations	39475
Number of reflections	18648	213	1308
<I/σ(I)>	31.39	61.4	10.7
Completeness [%]	98.5	94.2	97
Redundancy	2.117	3.31	1.334
CC(1/2)	1.000	0.999	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH 7.5, 10 % w/v Polyethylene glycol 6,000, 5 % v/v (+/-)-2-Methyl-2,4-pentanediol