7LB4

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

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	2019-08-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	40.062, 47.638, 64.728
Unit cell angles	90.00, 107.84, 90.00

Refinement procedure

Resolution	38.135 - 2.004
R-factor	0.182
Rwork	0.178
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l9l
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.079	0.043	0.441
Rmeas	0.092	0.051	0.524
Rpim	0.048	0.027	0.280
Total number of observations	56172
Number of reflections	15413	830	697
<I/σ(I)>	8.9
Completeness [%]	97.8	99.6	93.8
Redundancy	3.6	3.4	3.2
CC(1/2)		0.997	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M HEPES pH 7.5, 10 % w/v Polyethylene glycol 6,000, 5 % v/v (+/-)-2-Methyl-2,4-pentanediol